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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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21447 588339 1 SiN2C12H20 AB2C12D20 -19.92 3.03 -8.54 0.03 0
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21448 588343 1 ClO3N5H12C13 AB3C5D12E13 54.48 3.23 -9.18 -1.4 0
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21449 588353 1 NSO4C14H19 ABC4D14E19 -143.32 4.42 -9.58 -0.46 0
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21450 588354 1 SO2C10H14 AB2C10D14 -64.87 5.4 -8.17 -0.2 0
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21451 588360 1 O2N3C7H13 A2B3C7D13 -55.82 3.64 -8.88 0.15 0
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21452 588361 1 OCl2N2C23H28 AB2C2D23E28 -27.81 4.86 -9.22 -1.25 0
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21453 588362 1 ClON3C18H26 ABC3D18E26 -23.02 3.5 -8.86 -1.3 0
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21454 588363 1 BrSO2N3C14H16 ABC2D3E14F16 -61.63 3.05 -9.37 -1.26 0
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21455 588365 1 ClON3C24H30 ABC3D24E30 -1.95 4.35 -8.72 -1.24 0
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21456 588366 1 ON3C22H31 AB3C22D31 -33.08 3.64 -8.95 -0.61 0
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21457 588367 1 NOCl2C24H29 ABC2D24E29 -39.67 4.41 -8.92 -1.0 0
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21458 588368 1 Cl2N2O2C25H30 A2B2C2D25E30 -65.35 5.09 -8.82 -1.15 0
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21459 588382 2 OC2N2H3 AB2C2D3 32.21 7.21 -9.73 -0.8 0
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21460 588390 1 NOC14H29 ABC14D29 -112.93 3.73 -9.63 1.41 0
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21461 588421 1 NOC10H23 ABC10D23 -80.42 2.79 -8.61 2.32 0
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21462 588423 1 ClON3H12C16 ABC3D12E16 50.02 4.68 -8.5 -0.73 0
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21463 588458 1 BrO2N3H16C18 AB2C3D16E18 21.3 7.65 -8.56 -0.59 0
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21464 588474 1 NPS2C9H14 ABC2D9E14 -48.08 6.61 -8.71 -0.79 0
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21465 588477 1 NOC18H37 ABC18D37 -125.81 4.43 -9.2 1.43 0
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21466 588478 1 NC14H17 AB14C17 57.31 1.49 -8.9 0.43 0
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21467 588481 1 SN3C8H15 AB3C8D15 23.68 2.12 -8.93 -0.3 0
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21468 588484 1 ClSN3H4C7 ABC3D4E7 82.9 4.79 -9.79 -1.91 0
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21469 588506 1 OSiC18H38 ABC18D38 -167.8 1.83 -9.15 1.38 0
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21470 588529 1 ClNO3C10H12 ABC3D10E12 -140.21 4.51 -9.28 -0.31 0
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21471 588533 1 FSN2O3H21C22 ABC2D3E21F22 -107.43 1.54 -8.7 -0.72 0
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21472 588534 1 OSiC8H18 ABC8D18 -118.58 1.67 -8.9 1.45 0
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21473 588568 1 OSiC11H24 ABC11D24 -140.44 1.61 -9.59 1.56 0
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21474 588573 1 OSiC11H24 ABC11D24 -127.62 1.14 -9.02 1.2 0
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21475 588579 1 OSiC11H24 ABC11D24 -144.2 1.93 -9.58 1.56 0
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21476 588580 1 OSiC11H24 ABC11D24 -136.35 1.75 -9.2 1.45 0
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21477 588586 2 O2C12H21 A2B12C21 -257.5 1.8 -10.0 0.81 0
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21478 588588 1 OSiC17H36 ABC17D36 -146.14 1.95 -9.49 0.84 0
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21479 588598 1 S6C7H10 A6B7C10 51.84 1.08 -8.96 -0.66 0
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21480 588606 1 ClFNSO4H7C12 ABCDE4F7G12 -83.48 5.71 -10.72 -1.87 0
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21481 588607 1 F2O3H6C8 A2B3C6D8 -198.27 5.44 -10.6 -1.13 0
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21482 588616 1 OSiC8H18 ABC8D18 -120.7 1.86 -9.14 1.39 0
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21483 588617 1 OSiC9H20 ABC9D20 -118.92 1.87 -9.02 1.31 0
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21484 588627 1 N3O5H15C27 A3B5C15D27 89.88 4.64 -9.51 -2.21 0
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21485 588629 1 ClN4H11C12 AB4C11D12 83.83 3.35 -8.96 -0.85 0
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21486 588633 1 NS2C5H5 AB2C5D5 50.42 3.99 -9.27 -0.85 0
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21487 588640 1 NO2C18H19 AB2C18D19 -40.81 3.05 -8.43 -0.47 0
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21488 588642 1 SiO2C7H14 AB2C7D14 -145.4 2.51 -9.32 0.35 0
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21489 588645 1 ION2H11C16 ABC2D11E16 89.59 3.52 -8.49 -1.08 0
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21490 588646 1 NOH17C19 ABC17D19 10.93 3.53 -8.53 -0.43 0
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21491 588647 1 F2O3H6C8 A2B3C6D8 -196.33 3.04 -10.49 -1.07 0
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21492 588649 1 F2O3H6C8 A2B3C6D8 -197.95 4.38 -10.4 -1.18 0
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21493 588650 1 F2O3H6C8 A2B3C6D8 -195.07 5.39 -10.5 -1.12 0
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21494 588651 1 F2O3H6C8 A2B3C6D8 -199.4 4.58 -10.51 -1.06 0
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21495 588652 2 NOF3H7C10 ABC3D7E10 -329.33 2.65 -9.09 -1.11 0
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21496 588653 1 NH9C10 AB9C10 62.03 3.68 -9.43 -0.23 0
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21497 588654 1 ON3H15C19 AB3C15D19 49.08 10.52 -9.03 -1.12 0
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21498 588660 1 NSO3C13H16 ABC3D13E16 -98.48 3.81 0.0 0.0 1
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21499 588675 1 BrO2C13H13 AB2C13D13 -44.95 0.97 -9.46 -0.26 0
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21500 588676 2 NH7C8 AB7C8 77.32 3.3 -9.33 -0.76 0
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21501 588677 1 N3H5C8 A3B5C8 96.33 6.96 -10.65 -1.59 0
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21502 588682 1 SN2O2H14C16 AB2C2D14E16 -6.58 7.48 -9.45 -0.87 0
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21503 588683 1 SN2O2H12C15 AB2C2D12E15 1.37 6.32 -8.82 -1.38 0
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21504 588686 1 NSiO4C26H41 ABC4D26E41 -206.9 1.07 -8.89 -0.2 0
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21505 588693 1 O4C31H54 A4B31C54 -280.68 2.14 -9.56 0.84 0
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21506 588694 1 NC16H23 AB16C23 12.34 1.42 -8.55 0.56 0
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21507 588714 1 ClON3H6C7 ABC3D6E7 23.6 4.84 -9.85 -1.42 0
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21508 588716 1 O2N3C17H21 A2B3C17D21 -71.25 2.94 -8.64 -0.19 0
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21509 588726 1 OSiC22H38 ABC22D38 -58.34 1.56 -7.85 0.26 0
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21510 588727 1 O2Si2C25H46 A2B2C25D46 -245.0 0.78 -8.9 1.26 0
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21511 588737 1 ClFO2S2H8C11 ABC2D2E8F11 -77.15 4.98 -9.52 -1.0 0
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21512 588752 1 ClFNSO2H7C9 ABCDE2F7G9 -82.82 2.73 -9.98 -0.79 0
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21513 588767 1 ClN2O2C14H21 AB2C2D14E21 -69.71 2.33 -9.0 -0.15 0
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21514 588803 2 SC2N2H3 AB2C2D3 70.81 1.92 -8.82 -0.98 0
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21515 588828 1 ClFOSH16C19 ABCDE16F19 -41.5 4.57 -9.1 -0.8 0
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21516 588829 1 ClON2H9C10 ABC2D9E10 5.83 2.82 -9.27 -0.94 0
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21517 588831 1 ClO2H6N7C8 AB2C6D7E8 129.32 1.98 -9.83 -1.62 0
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21518 588832 1 ON2H12C13 AB2C12D13 39.52 5.51 -9.97 -0.91 0
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21519 588836 2 OC7H8 AB7C8 -45.91 2.58 -9.32 -0.1 0
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21520 588837 2 NOC6H6 ABC6D6 -44.79 5.12 -8.32 -0.16 0
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21521 588839 1 O2N4C27H28 A2B4C27D28 -30.88 3.39 -8.45 -0.16 0
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21522 588841 1 ClFNOC11H13 ABCDE11F13 -74.26 2.33 -8.93 -0.39 0
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21523 588842 18 CH AB 44.31 1.18 -9.16 0.4 0
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21524 588843 1 NPO2C17H28 ABC2D17E28 -128.19 6.12 -8.78 -0.03 0
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21525 588846 1 N2O3H12C13 A2B3C12D13 -87.74 8.89 -8.98 -0.63 0
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21526 588847 1 N3H11C16 A3B11C16 121.26 1.67 -9.11 -1.09 0
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21527 588848 1 ON4H12C14 AB4C12D14 65.11 9.22 -9.19 -0.96 0
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21528 588849 1 ClFSN3H9C13 ABCD3E9F13 33.63 4.36 -8.96 -0.87 0
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21529 588856 1 ON3H11C17 AB3C11D17 104.91 6.02 -8.68 -1.26 0
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21530 588857 1 ON2H16C18 AB2C16D18 51.97 1.2 -8.63 -1.16 0
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21531 588863 1 N2O3C16H18 A2B3C16D18 -86.38 2.19 -8.68 -0.8 0
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21532 588864 1 NO2H15C19 AB2C15D19 -4.3 4.86 -9.48 -0.9 0
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21533 588865 2 NOH7C9 ABC7D9 24.84 4.04 -8.93 -1.36 0
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21534 588866 1 ClSN2O2H11C13 ABC2D2E11F13 -8.64 6.15 -8.76 -0.92 0
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21535 588867 1 OCl2N2H10C15 AB2C2D10E15 5.56 2.76 -9.35 -0.88 0
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21536 588868 1 SN2O2C16H32 AB2C2D16E32 -151.23 6.73 -8.96 -0.05 0
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21537 588869 1 BrON2H11C16 ABC2D11E16 75.45 3.01 -8.56 -0.94 0
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21538 588871 1 ClFSN3H11C17 ABCD3E11F17 59.91 3.37 -9.12 -1.21 0
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21539 588874 1 Si3O4C31H56 A3B4C31D56 -363.81 2.94 -8.15 0.29 0
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21540 588875 1 ClOSN3H16C20 ABCD3E16F20 14.48 4.3 -8.28 -1.22 0
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21541 588877 1 NO3C26H41 AB3C26D41 -182.49 4.48 -9.26 0.85 0
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21542 588878 1 NO3C27H49 AB3C27D49 -229.05 4.21 -9.41 2.41 0
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21543 588880 1 NC33H49 AB33C49 -46.07 2.42 -7.99 0.34 0
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21544 588881 1 SN2C6H12 AB2C6D12 6.11 4.17 -9.07 0.14 0
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21545 588883 1 N2H8C9 A2B8C9 57.2 5.53 -9.8 -0.88 0
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21546 588885 1 OSC7H12 ABC7D12 -57.75 4.07 -8.8 0.56 0