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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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231345 87573515 1 NSiO4C20H33 ABC4D20E33 -222.53 4.03 -9.01 -0.1 0
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231346 87573516 1 NSiO4C20H32 ABC4D20E32 -174.34 5.02 0.0 0.0 0
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231347 87573517 1 S2F3N3O3H14C16 A2B3C3D3E14F16 -172.45 4.24 -8.0 -0.73 0
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231348 87573523 1 ClNO2F3H7C10 ABC2D3E7F10 -201.37 4.29 -10.48 -1.76 0
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231349 87573525 1 SiO4C15H20 AB4C15D20 -204.88 5.96 -8.87 -0.29 0
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231350 87573527 1 SN3O3F4H23C27 AB3C3D4E23F27 -191.82 9.22 -9.12 -1.1 1
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231351 87573529 1 ClSO2N3H13C18 ABC2D3E13F18 6.63 4.03 0.0 0.0 0
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231352 87573530 1 O2C13H20 A2B13C20 27.49 1.92 -8.31 0.54 0
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231353 87573531 1 OC9H16 AB9C16 -40.93 2.51 -8.26 0.68 0
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231354 87573537 2 ClNOC3H7 ABCD3E7 -46.52 2.98 -8.34 -1.04 0
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231355 87573539 1 NCl2C6H13 AB2C6D13 -42.95 2.35 -9.51 0.22 0
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231356 87573544 2 O3C4H6 A3B4C6 -141.4 2.0 -9.57 -1.49 0
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231357 87573546 2 BrNO2H12C16 ABC2D12E16 -93.11 0.35 -9.37 -2.82 0
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231358 87573547 1 ClN2O5C24H29 AB2C5D24E29 -173.5 2.44 -9.34 -1.09 0
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231359 87573548 1 N3O4C14H15 A3B4C14D15 -87.93 0.53 -8.67 -1.3 0
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231360 87573549 1 ClPC18H40 ABC18D40 -71.06 69.77 -5.07 -1.2 0
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231361 87573551 1 ClPC18H40 ABC18D40 -34.85 54.92 -5.43 -1.58 0
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231362 87573553 3 OC7H14 AB7C14 -224.21 0.35 -10.78 0.28 1
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231363 87573555 1 PN4C12H28 AB4C12D28 22.61 8.97 0.0 0.0 1
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231364 87573556 1 PN3C12H25 AB3C12D25 25.19 11.2 0.0 0.0 0
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231365 87573557 1 SK2H4O7C8 AB2C4D7E8 -380.73 7.27 -9.38 -0.71 0
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231366 87573558 1 KSH6O7C8 ABC6D7E8 -326.32 9.05 0.0 0.0 0
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231367 87573560 1 SCl2N4F5O5H31C32 AB2C4D5E5F31G32 -378.51 3.92 -9.54 -1.17 0
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231368 87573561 1 SH3N3C6O6 AB3C3D6E6 24.39 3.44 -10.05 -2.84 1
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231369 87573563 1 SN3H4C6O6 AB3C4D6E6 6.22 3.77 0.0 0.0 0
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231370 87573569 1 ClO3N8C22H25 AB3C8D22E25 -32.98 12.17 -9.23 -0.94 1
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231371 87573571 1 ClFSO2N3H12C18 ABCD2E3F12G18 -41.03 2.32 0.0 0.0 0
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231372 87573572 1 ClFSO2N3H13C18 ABCD2E3F13G18 -39.02 2.75 -9.02 -0.81 0
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231373 87573573 1 O6N11C53H63 A6B11C53D63 -139.9 12.32 -8.65 -0.81 0
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231374 87573575 1 ClO2N9C27H36 AB2C9D27E36 -9.45 11.47 -9.29 -1.01 0
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231375 87573577 1 SN2O2C14H14 AB2C2D14E14 -30.45 5.62 -8.1 -1.26 0
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231376 87573580 1 ON2Cl4C16H16 AB2C4D16E16 -19.82 4.17 -9.21 -1.02 0
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231377 87573582 1 ClN2H19C24 AB2C19D24 101.09 5.68 -9.18 -1.28 0
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231378 87573585 1 F4O4C11H16 A4B4C11D16 -375.26 7.12 -10.45 -0.19 0
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231379 87573587 1 NO4C16H23 AB4C16D23 -131.72 2.19 -9.76 -0.83 0
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231380 87573588 1 O6N9C51H65 A6B9C51D65 -194.44 7.54 -8.96 -0.6 0
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231381 87573592 1 NSC2H2F3O3 ABC2D2E3F3 -241.16 3.1 -12.65 -1.52 0
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231382 87573593 1 BrN2O4H25C26 AB2C4D25E26 -26.66 4.77 -9.49 -0.98 0
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231383 87573594 1 BrN3O3C17H24 AB3C3D17E24 -102.6 7.1 -8.91 -0.42 0
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231384 87573596 1 NSF3O4C11H18 ABC3D4E11F18 -310.7 15.34 -7.66 -1.26 1
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231385 87573598 1 PN4C28H60 AB4C28D60 -47.24 9.87 0.0 0.0 1
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231386 87573599 1 PN3C28H57 AB3C28D57 -25.99 27.54 0.0 0.0 0
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231387 87573601 1 NSO5C12H19 ABC5D12E19 -212.27 7.62 -9.8 -0.55 0
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231388 87573604 1 OCl2N5C21H29 AB2C5D21E29 -28.25 4.02 -8.69 -0.07 0
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231389 87573606 1 O4N5F6C12H17 A4B5C6D12E17 -455.23 3.46 -9.34 -1.08 0
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231390 87573608 1 BrSO2N8C19H23 ABC2D8E19F23 20.91 3.87 -8.54 -0.58 0
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231391 87573609 1 SF3C10H13 AB3C10D13 -141.39 4.47 -9.51 -0.38 0
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231392 87573610 2 O5H11C13 A5B11C13 -302.85 10.49 -10.64 -1.62 0
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231393 87573611 1 NSi2C19H38 AB2C19D38 4.15 3.02 0.0 0.0 0
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231394 87573616 1 SiO4C20H35 AB4C20D35 -179.92 5.01 0.0 0.0 0