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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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136412 52035573 1 O4N5C27H41 A4B5C27D41 -167.47 6.89 -9.45 -0.46 0
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136413 52035712 1 ON6H18C19 AB6C18D19 65.89 6.25 -8.61 -1.3 0
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136414 52035786 1 ClFON6H12C17 ABCD6E12F17 30.2 5.64 -9.16 -1.37 0
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136415 52035880 1 FON7H20C21 ABC7D20E21 48.28 6.5 -9.04 -1.23 0
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136416 52036777 1 ON6H22C26 AB6C22D26 102.75 6.56 -8.97 -1.13 0
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136417 52037211 1 OSN5C22H27 ABC5D22E27 38.26 6.45 -8.87 -0.73 0
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136418 52037973 1 OSN6C29H32 ABC6D29E32 75.87 4.11 -8.9 -1.12 0
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136419 52038421 1 OSN5C24H31 ABC5D24E31 22.08 6.33 -8.8 -0.61 0
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136420 52038890 1 O2N6C23H24 A2B6C23D24 70.58 3.38 -9.09 -0.91 0
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136421 52039358 1 ON7C22H23 AB7C22D23 74.17 3.45 -9.15 -0.77 0
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136422 52039776 1 O3N5H19C22 A3B5C19D22 26.45 5.12 -9.04 -1.24 0
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136423 52039824 1 ClFO2N5H15C21 ABC2D5E15F21 9.86 3.08 -9.86 -1.27 0
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136424 52039897 1 SO2N5H19C22 AB2C5D19E22 57.87 4.43 -8.84 -1.16 0
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136425 52040112 1 Cl2O2N5H17C22 A2B2C5D17E22 31.35 4.59 -9.2 -1.09 0
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136426 52040981 1 FN3H16C18 AB3C16D18 27.7 3.26 -8.68 -0.56 0
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136427 52040982 1 F2N3H15C18 A2B3C15D18 -16.97 3.02 -8.93 -0.7 0
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136428 52041127 3 NC7H7 AB7C7 64.6 0.68 -8.23 -0.24 0
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136429 52041199 1 ClON3C20H20 ABC3D20E20 17.71 1.97 -8.36 -0.4 0
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136430 52041462 1 FON5C26H28 ABC5D26E28 1.9 2.61 -8.6 -0.27 0
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136431 52041911 1 OF2N4C24H24 AB2C4D24E24 -69.21 2.76 -8.75 -0.55 0
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136432 52042006 1 ON5C30H37 AB5C30D37 11.46 2.51 -8.49 0.14 0
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136433 52042124 1 ClON4C26H29 ABC4D26E29 -7.47 4.96 -8.6 -0.2 0
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136434 52042348 1 OF2N4H20C22 AB2C4D20E22 -47.17 4.24 -9.08 -0.63 0
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136435 52042473 1 ON4C24H26 AB4C24D26 29.49 4.14 -8.86 -0.49 0
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136436 52042897 1 ON5C29H35 AB5C29D35 20.61 4.16 -8.83 -0.43 0
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136437 52043115 1 ClON4C25H27 ABC4D25E27 5.82 7.18 -8.76 -0.21 0
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136438 52043304 1 ON4C26H30 AB4C26D30 9.23 5.75 -8.52 -0.38 0
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136439 52043482 1 FON4C28H31 ABC4D28E31 -38.84 6.74 -8.68 -0.28 0
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136440 52043555 1 ON4C27H30 AB4C27D30 14.42 3.33 -8.65 -0.07 0
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136441 52043633 1 ON4C26H30 AB4C26D30 4.11 3.69 -8.71 0.05 0
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136442 52044012 1 O2N4H12C17 A2B4C12D17 66.27 7.51 -9.97 -1.29 0
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136443 52044124 1 ClFO2N3H13C17 ABC2D3E13F17 -32.48 6.54 -9.59 -1.11 0
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136444 52044160 1 Cl2O2N3H11C16 A2B2C3D11E16 18.46 5.27 -9.48 -1.25 0
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136445 52044161 1 Cl2O2N3H11C16 A2B2C3D11E16 17.24 5.92 -9.48 -1.3 0
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136446 52044264 1 ClN3O5H16C19 AB3C5D16E19 -100.67 7.74 -9.46 -1.42 0
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136447 52044455 1 O3N4H14C18 A3B4C14D18 26.78 7.55 -9.5 -1.1 0
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136448 52044516 1 ClN3O3H14C17 AB3C3D14E17 -15.79 6.91 -9.38 -0.98 0
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136449 52044931 1 ClO2N3H16C19 AB2C3D16E19 29.9 4.44 -9.2 -1.26 0
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136450 52045686 1 ClFO2N4H12C18 ABC2D4E12F18 4.28 6.01 -10.08 -1.14 0
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136451 52045687 1 BrClF2O2N3H11C17 ABC2D2E3F11G17 -70.31 3.73 -9.83 -1.08 0
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136452 52045688 1 ClFO2N3H15C18 ABC2D3E15F18 -31.86 7.0 -9.48 -1.02 0
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136453 52045689 1 ClF2N3O3H14C18 AB2C3D3E14F18 -111.79 4.18 -8.98 -1.1 0
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136454 52045690 1 ClFN3O3H15C18 ABC3D3E15F18 -65.66 5.28 -8.87 -1.17 0
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136455 52045691 1 ClFO2N3C13H13 ABC2D3E13F13 -64.19 3.96 -10.25 -1.05 0
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136456 52045692 1 BrClFO2N3H12C17 ABCD2E3F12G17 -25.55 5.03 -9.48 -1.12 0
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136457 52045693 1 ClFN3O4H11C14 ABC3D4E11F14 -127.5 5.78 -10.34 -1.16 0
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136458 52045694 1 ClFN3O4H11C14 ABC3D4E11F14 -129.01 4.55 -10.35 -1.1 0
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136459 52045857 1 F3N3O3H16C20 A3B3C3D16E20 -161.67 6.39 -9.63 -0.63 0
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136460 52045858 1 BrO2N3H16C19 AB2C3D16E19 44.88 6.4 -9.56 -0.67 0
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136461 52046005 1 O2N3C13H15 A2B3C13D15 -15.35 5.49 -9.52 -0.44 0
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136462 52046006 1 O2N3C15H19 A2B3C15D19 -31.86 4.08 -9.47 -0.34 0
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136463 52046007 1 F2O2N3C21H21 A2B2C3D21E21 -89.43 3.9 -9.3 -1.01 0
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136464 52046368 1 FO2N5C28H34 AB2C5D28E34 -33.91 3.18 -8.65 -0.87 0
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136465 52046369 1 FO3N5C27H32 AB3C5D27E32 -59.45 6.26 -8.74 -0.77 0
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136466 52046660 1 FO2N4C29H35 AB2C4D29E35 -51.18 3.35 -8.37 -0.56 0
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136467 52046661 1 FO2N4C26H29 AB2C4D26E29 -37.94 2.28 -8.61 -0.78 0
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136468 52046662 1 FO2N4C26H29 AB2C4D26E29 -36.61 3.44 -8.33 -0.64 0
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136469 52046760 1 FO3N6C27H39 AB3C6D27E39 -115.94 1.79 -8.53 -0.72 0
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136470 52046767 1 FO3N4C22H27 AB3C4D22E27 -101.84 1.89 -8.61 -0.77 0
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136471 52046779 1 FO2N5C25H36 AB2C5D25E36 -74.22 2.01 -8.63 -0.85 0
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136472 52048063 1 FN4O4C27H27 AB4C4D27E27 -45.61 3.17 -8.68 -1.23 0
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136473 52048064 1 FN4O4C27H27 AB4C4D27E27 -44.07 5.33 -8.59 -1.22 0
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136474 52048398 1 FSO2N4C24H27 ABC2D4E24F27 -33.68 5.81 -8.37 -0.99 0
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136475 52048452 1 FN4O4C26H31 AB4C4D26E31 -113.96 2.29 -8.23 -0.96 0
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136476 52048453 1 FN4O4C28H35 AB4C4D28E35 -125.68 4.12 -8.28 -0.84 0
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136477 52048454 1 FN4O4C28H35 AB4C4D28E35 -124.77 5.59 -8.3 -0.56 0
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136478 52048455 1 ClFO2N4C24H26 ABC2D4E24F26 -46.29 4.82 -8.99 -0.88 0
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136479 52048554 1 FO3N4C25H29 AB3C4D25E29 -80.66 4.72 -8.82 -0.92 0
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136480 52048555 1 FN4O4C26H31 AB4C4D26E31 -113.41 4.89 -8.46 -0.74 0
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136481 52048556 1 FN4O4C26H31 AB4C4D26E31 -115.32 5.68 -8.52 -0.96 0
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136482 52049080 1 FO2N4C19H23 AB2C4D19E23 -37.52 5.33 -8.99 -1.01 0
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136483 52049802 1 FO3N5C28H28 AB3C5D28E28 -25.77 8.08 -8.88 -1.39 0
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136484 52049803 1 FO4N5C28H28 AB4C5D28E28 -51.59 4.36 -8.55 -1.3 0
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136485 52049804 1 FO4N5C28H28 AB4C5D28E28 -49.38 4.61 -8.53 -1.36 0
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136486 52050174 1 FO2N5C29H30 AB2C5D29E30 0.46 2.54 -9.09 -1.53 0
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136487 52050175 1 FO4N5C22H22 AB4C5D22E22 -88.0 3.45 -9.01 -1.45 0
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136488 52050176 1 FO4N5C22H22 AB4C5D22E22 -91.18 1.94 -9.42 -1.48 0
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136489 52050177 1 FO4N5C23H24 AB4C5D23E24 -96.7 3.99 -8.78 -1.4 0
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136490 52050178 1 FO4N5C23H24 AB4C5D23E24 -99.39 1.51 -9.44 -1.48 0
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136491 52050179 1 FO4N6C27H31 AB4C6D27E31 -109.93 3.72 -9.29 -1.48 0
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136492 52050180 1 FO4N6C27H31 AB4C6D27E31 -109.18 2.3 -9.14 -1.53 0
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136493 52050707 1 FO3N5C28H32 AB3C5D28E32 -83.06 10.36 -9.07 -1.2 0
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136494 52050889 1 FO3N6C29H37 AB3C6D29E37 -62.91 4.05 -8.24 -0.86 1
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136495 52050890 1 FO3N6C29H38 AB3C6D29E38 -33.35 6.84 0.0 0.0 0
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136496 52050891 1 FO3N6C29H37 AB3C6D29E37 -64.98 8.45 -8.05 -1.06 0
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136497 52050892 1 FO3N4C27H33 AB3C4D27E33 -89.95 3.15 -8.57 -0.89 0
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136498 52051081 1 F2O2N5C27H33 A2B2C5D27E33 -80.58 4.68 -8.45 -1.34 0
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136499 52051290 1 ClF2O2N4H23C27 AB2C2D4E23F27 -46.92 4.48 -8.57 -1.3 0
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136500 52051291 1 ClF2O2N4H23C27 AB2C2D4E23F27 -49.71 5.31 -9.04 -1.43 0
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136501 52051292 1 ClFO3N4H22C25 ABC3D4E22F25 -31.56 3.45 -8.57 -1.28 0
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136502 52051293 1 ClFO3N4H22C25 ABC3D4E22F25 -33.37 4.98 -8.96 -1.4 0
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136503 52051294 1 ClFSO2N4H22C25 ABCD2E4F22G25 5.12 2.68 -8.68 -1.32 0
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136504 52051496 1 FN4O4H27C30 AB4C4D27E30 -62.73 5.91 -8.95 -1.29 0
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136505 52051760 1 FO4N5C27H38 AB4C5D27E38 -181.79 7.17 -8.29 -0.59 0
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136506 52052521 1 FN4O4C26H29 AB4C4D26E29 -93.15 2.8 -8.24 -1.07 0
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136507 52052600 1 O2F3N4H21C22 A2B3C4D21E22 -119.32 5.73 -8.73 -0.82 0
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136508 52052899 1 FO2N4C26H31 AB2C4D26E31 -50.66 4.32 -8.3 -0.57 0
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136509 52053472 1 FO2N5H26C27 AB2C5D26E27 13.62 7.32 -8.4 -1.2 0
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136510 52053473 1 FO3N5C29H30 AB3C5D29E30 -36.35 4.66 -8.29 -1.2 0
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136511 52053591 1 FO2N5H26C27 AB2C5D26E27 9.25 5.5 -8.53 -1.32 0