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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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191478 78150504 1 F3N3O4H22C25 A3B3C4D22E25 -245.0 3.64 -9.32 -1.37 0
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191479 78150759 1 N2O6C19H26 A2B6C19D26 -233.31 2.19 -8.95 -0.25 0
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191480 78150760 1 N2O6C25H30 A2B6C25D30 -210.94 5.9 -8.93 -0.19 0
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191481 78150761 2 NO3C12H14 AB3C12D14 -203.41 9.36 -9.27 -0.59 0
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191482 78151196 1 ON4C16H20 AB4C16D20 29.13 6.41 -8.77 -0.6 0
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191483 78151217 1 FON4C19H19 ABC4D19E19 -0.11 3.31 -9.04 -0.71 0
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191484 78151446 1 N3S5O7C32H33 A3B5C7D32E33 -152.23 23.5 -8.67 -1.8 0
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191486 78152022 1 Cl2O3N5C43H43 A2B3C5D43E43 -41.76 12.26 -8.17 -0.38 0
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191487 78153928 1 SN4O4C15H18 AB4C4D15E18 -83.98 6.17 -9.49 -0.55 0
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191488 78153929 1 ClSN3O4H14C17 ABC3D4E14F17 -72.33 8.38 -9.45 -1.53 0
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191489 78153930 1 N3O6H25C26 A3B6C25D26 -92.63 9.41 -8.71 -1.87 1
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191490 78153945 1 O3N5C17H20 A3B5C17D20 -39.4 4.59 0.0 0.0 0
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191491 78153946 1 ON8C13H20 AB8C13D20 46.93 9.42 -9.22 -0.11 0
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191492 78154211 1 O2N4C19H24 A2B4C19D24 -22.15 3.39 -8.93 -0.64 0
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191493 78154212 1 SO4N5C19H27 AB4C5D19E27 -129.83 8.01 -9.27 -0.73 1
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191494 78154213 1 N4O4C18H19 A4B4C18D19 -58.71 5.13 0.0 0.0 1
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191495 78154613 1 O3N4H21C22 A3B4C21D22 -21.01 8.68 0.0 0.0 0
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191496 78154614 1 ON6C20H26 AB6C20D26 32.83 7.11 -8.26 0.18 0
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191497 78154641 1 SN4O5C14H14 AB4C5D14E14 -134.98 5.33 -9.38 -1.19 0
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191498 78154642 1 ClO3N4C18H23 AB3C4D18E23 -107.85 8.81 -8.61 -0.2 0
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191499 78154643 2 N2O2C7H8 A2B2C7D8 -119.01 4.81 -9.91 -1.02 0
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191500 78154644 2 ON2C9H14 AB2C9D14 -51.46 6.19 -8.59 0.41 1
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191501 78154834 1 O3N6C22H25 A3B6C22D25 -40.11 8.5 0.0 0.0 0
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191502 78154937 1 ClNO2C5H14 ABC2D5E14 -164.52 4.79 -10.64 2.35 0
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191503 78154938 1 ClN2O2C11H23 AB2C2D11E23 -168.5 4.54 -9.08 0.47 0
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191504 78154939 1 NO5C12H19 AB5C12D19 -238.92 7.87 -10.21 0.15 0
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191505 78154940 1 NO5C20H23 AB5C20D23 -175.58 3.5 -9.68 -0.83 0
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191506 78154941 1 N2F3O3C13H19 A2B3C3D13E19 -312.12 5.87 -9.89 -0.07 0
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191507 78155008 1 PSO7C38H77 ABC7D38E77 -511.17 5.88 -8.88 0.28 0
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191508 78155086 1 ON2C28H30 AB2C28D30 35.63 5.33 -8.41 -0.33 0
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191509 78155091 1 O3N4C21H22 A3B4C21D22 -40.95 3.28 -8.62 -1.05 0
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191510 78155092 1 O3N4C22H24 A3B4C22D24 -48.34 2.6 -8.55 -1.01 0
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191511 78155093 1 N3O5C23H25 A3B5C23D25 -158.29 4.88 -8.55 -0.31 0
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191512 78155127 1 N3O6C28H33 A3B6C28D33 -27.04 2.27 -8.69 -1.13 0
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191513 78155265 1 ClFN2O4C34H40 ABC2D4E34F40 -204.78 3.96 -8.84 -0.31 0
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191514 78155266 1 ClN2O5C29H31 AB2C5D29E31 -182.94 5.71 -9.6 -0.55 0
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191515 78156013 2 O2C7H9 A2B7C9 -138.41 2.03 -8.18 0.1 0
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191516 78156315 1 NO3C14H25 AB3C14D25 -167.54 2.97 -9.41 0.82 0
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191517 78156327 1 N3O8H29C37 A3B8C29D37 -48.86 7.41 -8.71 -1.45 0
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191518 78156328 1 N2O7H30C37 A2B7C30D37 -90.55 3.69 -8.64 -1.04 0
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191519 78156520 1 FO6C29H31 AB6C29D31 -228.84 5.49 -8.45 -0.18 0
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191520 78156576 1 F2O3N4C22H30 A2B3C4D22E30 -200.33 7.94 -9.05 -0.6 0
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191521 78156577 1 BSnO3C33H51 ABC3D33E51 -198.15 3.07 -8.16 0.5 0
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191522 78156578 1 BSnO3C33H51 ABC3D33E51 -198.98 3.14 -8.32 0.51 0
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191523 78157953 2 O4C19H30 A4B19C30 -377.67 4.96 -9.09 0.71 0
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191524 78157954 1 O6H32C35 A6B32C35 -131.98 7.22 -8.91 -1.19 0
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191525 78158293 1 P4N6O21C22H32 A4B6C21D22E32 -1096.77 4.9 -8.28 -0.59 0
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191526 78158294 1 SN2Na3P3C9H14O14 AB2C3D3E9F14G14 -1049.82 6.76 -8.01 0.06 0
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191527 78158520 1 N6O6C35H38 A6B6C35D38 -78.36 3.3 -9.02 -0.38 1
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191528 78159030 1 N5O9C65H78 A5B9C65D78 -265.42 7.46 0.0 0.0 0