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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5386 13085 2 NOH6C7 ABC6D7 -7.99 1.38 -9.54 -0.52 0
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5387 13090 1 NO2H9C16 AB2C9D16 56.32 6.29 -8.91 -1.55 0
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5388 13092 1 NH13C18 AB13C18 66.89 1.92 -8.14 -0.69 0
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5389 13094 1 OH10C18 AB10C18 149.11 4.67 -7.89 -1.44 0
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5390 13095 1 NF3O3C11H12 AB3C3D11E12 -284.69 2.83 -10.08 -0.72 0
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5391 13096 1 NCl3O4H10C11 AB3C4D10E11 -167.27 4.3 -8.99 -0.84 0
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5392 13097 1 OPH15C18 ABC15D18 26.71 4.89 -9.74 -0.14 0
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5393 13098 2 SC3F6 AB3C6 -619.94 0.2 -10.89 -2.55 0
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5394 13101 2 NC9H12 AB9C12 18.96 3.84 -7.91 0.27 0
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5395 13102 1 NO3C18H23 AB3C18D23 -70.3 4.15 -8.34 0.09 0
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5396 13103 1 ClNC21H42 ABC21D42 -45.67 37.98 -5.62 -1.87 0
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5397 13104 1 NC21H41 AB21C41 -81.56 1.69 -8.59 2.93 0
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5398 13105 2 NH8C10 AB8C10 76.08 0.4 -8.08 -0.34 0
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5399 13106 1 BrFH14C20 ABC14D20 40.47 2.15 -9.28 -0.59 0
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5400 13108 1 O2C21H32 A2B21C32 -128.24 5.12 -9.74 0.06 0
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5401 13109 1 O2C21H28 A2B21C28 -60.06 5.88 -9.76 0.07 0
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5403 13111 1 NC22H44 AB22C44 -50.54 0.34 0.0 0.0 1
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5404 13112 1 PN2O8H11C13 AB2C8D11E13 -190.13 7.28 -10.52 -1.64 0
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5405 13113 1 ClOSN2C19H21 ABCD2E19F21 -7.37 1.01 -8.43 -0.67 0
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5406 13114 1 BrFOH16C21 ABCD16E21 -0.15 1.94 -8.77 -0.53 0
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5407 13115 1 BrFOH16C21 ABCD16E21 -1.35 3.07 -8.85 -0.52 0
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5408 13116 1 N4O5C16H20 A4B5C16D20 -134.47 2.77 -8.96 -1.54 0
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5409 13117 1 BrF3H14C21 AB3C14D21 -75.26 3.63 -9.59 -0.82 0
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5410 13118 2 N3O3H6C7 A3B3C6D7 62.38 13.89 -9.18 -1.8 0
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5411 13119 1 SN4O8C40H50 AB4C8D40E50 -225.59 2.28 -8.67 -1.0 0
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5412 13120 2 NOC10H12 ABC10D12 -27.97 5.17 -8.84 -0.7 0
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5413 13121 1 OSi2C26H26 AB2C26D26 -46.32 0.76 -9.14 -0.02 0
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5414 13123 1 NF3O6C22H26 AB3C6D22E26 -373.91 12.19 -9.36 -1.14 0
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5415 13124 1 NO2F3C20H24 AB2C3D20E24 -195.85 4.14 -8.8 -0.65 0
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5416 13125 1 O5C25H36 A5B25C36 -262.68 6.39 -10.22 -0.27 0
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5417 13126 2 O2C13H19 A2B13C19 -216.77 7.38 -9.68 0.11 0
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5418 13129 2 CHF2 ABC2 -213.97 2.3 -13.85 1.11 0
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5419 13130 1 CPO4H5 ABC4D5 -238.2 1.0 -11.53 0.32 0
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5420 13131 1 C3Cl4H4 A3B4C4 -44.22 2.24 -11.1 -0.7 0
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5421 13132 1 HC2Cl2F3 AB2C2D3 -172.01 1.45 -11.53 -0.85 0
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5422 13133 1 NH2C3Cl3 AB2C3D3 8.01 1.77 -11.29 -0.94 0
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5423 13135 1 BiH5C6O7 AB5C6D7 -244.65 7.8 -8.57 -2.09 0
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5424 13136 1 Ca3H10C12O14 A3B10C12D14 -747.53 24.84 -6.85 -2.49 0
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5425 13138 1 OPC12H27 ABC12D27 -135.08 5.13 -9.74 2.6 0
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5426 13139 1 ClPO3C4H10 ABC3D4E10 -219.66 4.73 -11.33 0.16 0
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5427 13140 1 ClOC3H3 ABC3D3 -30.94 3.86 -11.2 -1.11 0
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5428 13141 1 CaS2C4O4H6 AB2C4D4E6 -287.54 1.28 -9.13 -0.01 0
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5429 13143 1 OC5H8 AB5C8 -35.57 3.02 -10.15 -0.19 0
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5430 13144 1 CaC6O6H10 AB6C6D10 -373.23 6.64 -9.88 0.28 0
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5431 13145 1 CuC6O6H10 AB6C6D10 -260.55 7.47 0.0 0.0 0
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5432 13146 1 HgC6O6H10 AB6C6D10 -177.69 5.82 -8.05 0.38 0
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5433 13147 1 CrC2O4 AB2C4 -135.97 4.26 -8.98 -1.16 0
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5434 13148 1 CuC2O4 AB2C4 -115.87 4.61 0.0 0.0 0
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5435 13149 1 SnC2O4 AB2C4 -136.35 7.35 -10.2 -2.06 0
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5436 13150 1 O3C6H10 A3B6C10 -134.57 3.28 -10.28 -1.07 0
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5437 13151 1 NOCl3C4H8 ABC3D4E8 -81.43 0.96 -9.93 -0.58 0
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5438 13153 1 OC3Cl4 AB3C4 -43.54 2.24 -10.32 -1.55 0
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5439 13162 1 OC15H30 AB15C30 -109.41 3.18 -9.85 0.81 0
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5440 13163 1 O4C9H16 A4B9C16 -208.03 2.49 -10.81 0.74 0
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5441 13164 2 OC5H9 AB5C9 -102.75 2.16 -10.06 0.25 0
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5442 13165 1 O3C5H8 A3B5C8 -119.14 3.67 -10.44 -0.6 0
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5443 13166 1 OC8H14 AB8C14 -19.98 2.07 -10.63 1.14 0
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5444 13167 1 CCaH2S2O6 ABC2D2E6 -271.19 6.65 -10.54 -1.11 0
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5445 13168 1 ON2C3F3H5 AB2C3D3E5 -156.12 3.83 -10.04 -0.23 0
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5446 13169 1 ClNC6H16 ABC6D16 -73.34 6.01 -9.84 1.88 0
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5447 13170 2 PNa2C4O6H9 AB2C4D6E9 -868.43 5.22 -8.62 0.79 0
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5448 13171 1 PC5O6H13 AB5C6D13 -357.03 6.74 -10.82 0.9 0
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5449 13172 1 N3O3C7H11 A3B3C7D11 -86.06 5.44 -9.92 -0.62 0
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5450 13174 2 OC4H8 AB4C8 -126.93 2.19 -10.66 0.99 0
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5451 13175 1 OC10H20 AB10C20 -85.58 3.33 -9.92 0.73 0
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5452 13176 1 C7H8 A7B8 71.5 0.67 -9.4 0.06 0
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5453 13177 2 OC3H4 AB3C4 -68.94 0.14 -10.38 -1.07 0
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5454 13178 1 O2C4N5H7 A2B4C5D7 -11.43 3.83 -9.9 -0.86 0
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5455 13179 1 O2C4N5H8 A2B4C5D8 6.23 5.29 0.0 0.0 1
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5456 13180 2 BrC2H3 AB2C3 4.48 0.0 -10.19 -0.87 0
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5457 13181 1 OC5H10 AB5C10 -44.55 1.71 -10.24 1.07 0
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5458 13182 2 ClC2H2 AB2C2 26.97 0.81 -10.65 -0.31 0
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5459 13183 2 NC2H5 AB2C5 23.6 0.02 -8.93 0.55 0
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5460 13184 1 Cl2C7H14 A2B7C14 -54.28 2.8 -10.85 0.28 0
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5461 13185 2 O2C7H13 A2B7C13 -231.84 10.2 -10.68 0.34 0
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5462 13186 1 NCl3C4H10 AB3C4D10 -69.44 5.14 -10.42 0.31 0
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5463 13187 1 OC9H18 AB9C18 -82.8 3.36 -10.11 0.75 0
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5464 13188 1 ClO2C7H13 AB2C7D13 -126.27 2.9 -10.75 0.51 0
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5465 13189 1 Cl2C9H18 A2B9C18 -63.72 2.41 -10.79 0.29 0
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5466 13190 11 CH2 AB2 -31.97 0.5 -10.03 1.32 0
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5467 13191 1 Cl2C9H18 A2B9C18 -65.8 2.41 -10.65 0.81 0
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5468 13192 2 NOC4H6 ABC4D6 -61.71 0.58 -10.4 0.28 0
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5469 13193 1 ClC13H27 AB13C27 -75.89 2.25 -10.54 0.94 0
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5470 13194 1 NaO2C18H35 AB2C18D35 -208.31 5.73 -9.56 0.45 0
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5471 13195 2 NC2H3 AB2C3 24.01 4.63 -9.16 0.76 0
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5472 13196 1 C3S3H4 A3B3C4 37.88 4.09 -8.85 -1.31 0
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5473 13197 7 CH2 AB2 -31.3 0.17 -10.8 3.89 0
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5474 13198 1 OC6H10 AB6C10 -48.59 2.6 -9.91 0.96 0
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5475 13199 1 PC6H13 AB6C13 -22.52 1.97 -9.08 3.02 0
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5476 13200 1 OC7H8 AB7C8 12.14 1.53 -9.92 0.52 0
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5477 13201 2 OC3H6 AB3C6 -102.19 1.64 -9.7 1.65 0
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5478 13202 2 ClC3H5 AB3C5 -47.34 3.69 -10.51 0.56 0
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5479 13203 1 ClOC6H9 ABC6D9 -65.99 4.86 -10.12 0.33 0
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5480 13205 1 N2C7H10 A2B7C10 11.74 1.47 -8.23 0.68 0
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5481 13207 1 OC8H14 AB8C14 -68.19 3.13 -9.76 0.83 0
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5482 13208 3 NC2H3 AB2C3 23.69 0.09 -10.4 -0.43 0
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5483 13211 2 C5H6 A5B6 3.02 1.03 -8.95 0.65 0
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5484 13213 2 C5H6 A5B6 5.61 1.09 -8.97 0.54 0
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5485 13215 1 NaSO2C7H7 ABC2D7E7 -88.87 4.77 -7.46 0.69 0
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5486 13216 1 OC10H18 AB10C18 -87.67 2.31 -10.16 3.01 0