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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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45367 10512137 1 NOC12H23 ABC12D23 -72.31 1.82 -8.32 2.81 0
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45368 10512151 2 O2C5H7 A2B5C7 -195.87 4.12 -10.38 0.62 0
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45369 10512156 1 O2H10C13 A2B10C13 6.64 3.88 -9.19 -0.45 0
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45370 10512163 1 O3C11H18 A3B11C18 -128.05 2.17 -8.71 -0.32 0
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45371 10512179 2 OC6H11 AB6C11 -30.03 0.55 -8.93 0.47 0
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45372 10512188 1 BrF2C6H9 AB2C6D9 -106.75 1.78 -10.36 -0.71 0
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45373 10512246 2 OC6H12 AB6C12 -130.77 2.6 -9.93 1.37 0
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45374 10512255 1 ClN4C8H13 AB4C8D13 14.49 4.22 -9.1 -0.55 0
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45375 10512269 1 NF3C10H10 AB3C10D10 -147.98 4.98 -8.62 -0.35 0
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45376 10512295 2 O2C5H9 A2B5C9 -214.59 3.16 -10.59 0.79 0
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45377 10512306 1 ON2C12H14 AB2C12D14 0.08 5.79 -8.58 0.02 0
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45378 10512364 1 NC14H21 AB14C21 4.23 2.13 -8.12 0.58 0
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45379 10512367 1 ClNO3C8H10 ABC3D8E10 -94.44 5.12 -10.65 -0.68 0
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45380 10512368 1 ClN3H6C10 AB3C6D10 89.29 3.38 -9.3 -1.18 0
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45381 10512384 2 NO2C4H8 AB2C4D8 -192.99 2.69 -9.58 0.91 0
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45382 10512401 1 O2C13H16 A2B13C16 -67.06 3.56 -9.38 -0.68 0
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45384 10512454 1 N2O3C10H10 A2B3C10D10 -58.76 3.77 -9.23 -0.3 0
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45385 10512529 1 N5C10H17 A5B10C17 54.36 6.94 -9.35 -0.1 0
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45386 10512534 1 F3H3O4C7 A3B3C4D7 -274.02 3.81 -10.25 -1.62 0
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45387 10512552 1 O3C12H16 A3B12C16 -121.22 4.11 -8.99 -0.02 0
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45388 10512556 1 O3C12H16 A3B12C16 -114.79 0.5 -8.89 0.11 0
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45389 10512565 1 OSN2C10H12 ABC2D10E12 14.82 2.68 -8.52 -0.84 0
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45390 10512598 1 NOC13H17 ABC13D17 -5.34 1.13 -7.9 0.31 0
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45391 10512637 1 SN2O2C9H10 AB2C2D9E10 -69.52 5.47 -8.84 -0.92 0
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45392 10512668 1 NO5C9H9 AB5C9D9 -87.47 4.4 -9.59 -1.51 0
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45393 10512669 1 NO5C9H9 AB5C9D9 -123.81 3.82 -9.13 -0.77 0
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45394 10512681 1 NO3C11H17 AB3C11D17 -148.26 3.35 -9.56 -0.69 0
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45395 10512684 1 NSO2C10H13 ABC2D10E13 -66.06 3.67 -8.63 0.02 0
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45396 10512685 1 NO2C12H21 AB2C12D21 -56.36 3.08 -8.8 0.36 0
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45397 10512687 1 NO2C12H21 AB2C12D21 -77.78 3.21 -9.33 0.12 0
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45398 10512728 1 O3C12H20 A3B12C20 -76.86 1.19 -9.66 -0.05 0
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45399 10512756 1 N5C11H11 A5B11C11 93.86 3.82 -9.05 -0.71 0
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45400 10512763 1 NOC14H15 ABC14D15 -3.92 3.87 -9.1 0.36 1
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45401 10512780 1 N5C8H12 A5B8C12 71.37 2.08 0.0 0.0 0
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45402 10512782 1 NOC11H15 ABC11D15 -12.27 2.34 -9.14 0.19 0
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45403 10512812 2 OC7H7 AB7C7 -8.96 1.69 -9.29 -0.31 0
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45404 10512814 1 ON2C13H14 AB2C13D14 -1.84 9.08 -8.97 -0.4 0
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45405 10512815 1 ON2C13H14 AB2C13D14 10.67 6.1 -10.23 -1.53 0
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45406 10512824 1 OC15H18 AB15C18 -16.6 1.36 -8.6 -0.17 0
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45407 10512838 1 OC14H30 AB14C30 -118.31 2.12 -10.17 2.99 0
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45408 10512870 1 NOC14H17 ABC14D17 5.45 3.39 -9.87 -0.12 0
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45409 10512884 1 FO4C10H13 AB4C10D13 -205.84 1.29 -10.74 -1.43 0
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45410 10512889 1 O3H12C13 A3B12C13 -72.26 4.33 -8.76 -0.95 0
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45411 10512897 2 OC7H8 AB7C8 -73.21 5.33 -9.58 0.15 0
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45412 10512910 1 SN2C12H12 AB2C12D12 74.15 2.73 -9.26 -0.72 0
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45413 10512918 2 NC7H10 AB7C10 21.31 3.05 -8.12 0.19 0
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45414 10512919 2 NC7H10 AB7C10 64.71 4.79 -9.07 0.45 0
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45415 10512929 1 BrO2C8H9 AB2C8D9 -77.03 3.77 -9.24 -0.34 0
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45416 10512984 1 ON2F3C9H9 AB2C3D9E9 -152.0 9.49 -9.0 -1.21 0
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45417 10513000 1 O3C13H14 A3B13C14 -48.68 2.12 -8.58 -0.66 0
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45418 10513008 2 NOC6H7 ABC6D7 14.62 9.97 -8.97 -0.83 0
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45419 10513009 1 ON4C11H14 AB4C11D14 7.42 8.19 -9.22 -0.42 0
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45420 10513022 2 OC7H9 AB7C9 -68.48 4.07 -8.09 0.21 0
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45421 10513049 1 NO2F3H8C9 AB2C3D8E9 -204.16 3.11 -10.32 -0.99 0
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45422 10513054 1 N3O3H9C10 A3B3C9D10 -35.02 8.68 -9.4 -1.21 0
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45423 10513074 1 NO4C10H21 AB4C10D21 -223.01 2.2 -9.69 0.97 0
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45424 10513095 1 OF4H8C10 AB4C8D10 -218.68 2.71 -10.02 -1.0 0
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45425 10513111 1 O3C13H16 A3B13C16 -115.38 6.4 -9.51 -0.41 0
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45426 10513157 1 ClOC13H13 ABC13D13 -22.48 4.59 -9.56 -0.85 0
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45427 10513176 1 NO3C12H15 AB3C12D15 -98.35 2.9 -9.02 -0.32 0
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45428 10513194 1 NSC13H19 ABC13D19 7.57 1.02 -8.46 0.08 0
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45429 10513227 1 O3C13H18 A3B13C18 -99.56 2.35 -9.44 0.26 0
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45430 10513243 2 OC7H11 AB7C11 -95.84 3.46 -9.76 0.56 0
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45431 10513272 1 NO4C11H13 AB4C11D13 -149.07 3.3 -9.83 0.1 0
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45432 10513274 1 NO4C11H13 AB4C11D13 -150.3 6.45 -10.4 -0.71 0
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45433 10513284 1 NO2C13H21 AB2C13D21 -89.27 3.44 -8.96 0.05 0
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45434 10513286 1 NO2C13H21 AB2C13D21 -93.62 5.73 -9.03 0.08 0
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45435 10513322 2 ON2C5H8 AB2C5D8 -46.44 3.89 -9.71 -0.02 0
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45436 10513371 1 FNO3C11H12 ABC3D11E12 -166.52 2.88 -10.02 -0.67 0
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45437 10513376 1 NO4C11H15 AB4C11D15 -161.11 7.12 -8.58 -0.3 0
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45438 10513402 1 O5C11H14 A5B11C14 -226.05 4.61 -10.62 1.12 0
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45439 10513408 2 NO2C5H7 AB2C5D7 -154.75 5.43 -9.69 -0.49 0
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45440 10513432 1 N2O3C11H18 A2B3C11D18 -126.83 4.05 -9.82 0.31 0
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45441 10513466 1 ClN2O2C10H11 AB2C2D10E11 -37.37 7.2 -9.48 -0.53 0
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45442 10513476 1 O2N3H9C12 A2B3C9D12 18.14 10.77 -10.23 -1.17 0