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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148677 53788345 1 S2N3O7H21C22 A2B3C7D21E22 -165.06 6.4 -8.78 -0.64 0
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148678 53788346 1 S2N3O7H21C22 A2B3C7D21E22 -155.35 10.9 -8.72 -0.94 0
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148679 53788347 2 NO4C15H26 AB4C15D26 -391.19 2.15 -9.01 0.6 0
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148680 53788348 1 N3C13H13 A3B13C13 59.42 2.81 -8.43 0.12 0
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148681 53788349 1 O6C21H34 A6B21C34 -288.46 9.0 -10.24 -0.4 0
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148682 53788350 2 C9H17 A9B17 -51.1 0.74 -8.97 1.13 0
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148683 53788351 2 NC9H11 AB9C11 40.03 3.82 -8.96 -0.62 0
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148684 53788352 1 O2C31H48 A2B31C48 -111.62 1.89 -8.38 0.37 0
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148685 53788353 1 ClN6O7C60H63 AB6C7D60E63 -49.37 20.72 -7.19 -1.59 0
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148686 53788355 1 OSN5C13H17 ABC5D13E17 62.94 4.27 -8.68 -0.66 0
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148687 53788356 1 NO5C13H19 AB5C13D19 -219.25 1.82 -9.01 -0.88 0
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148688 53788357 1 NO5C13H19 AB5C13D19 -218.89 5.29 -9.06 -0.93 0
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148689 53788358 1 NO5C13H19 AB5C13D19 -219.14 2.46 -9.01 -0.86 0
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148690 53788359 1 ON8C23H30 AB8C23D30 71.59 3.43 -9.28 -0.76 0
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148691 53788360 1 S2N5O7C23H29 A2B5C7D23E29 -182.26 7.01 -9.05 -0.8 0
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148692 53788361 1 S2N5O7C23H29 A2B5C7D23E29 -182.32 4.27 -9.16 -0.8 0
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148693 53788362 1 N3O4H23C26 A3B4C23D26 -56.29 6.31 -8.69 -1.22 0
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148694 53788363 1 NOC3H7 ABC3D7 -34.22 2.23 -9.61 0.31 0
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148695 53788364 1 N2O2H6C11 A2B2C6D11 54.32 4.22 -9.19 -1.93 0
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148696 53788365 1 N3O3H15C20 A3B3C15D20 14.62 2.36 -9.05 -1.41 0
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148697 53788366 1 S2N4O4C25H30 A2B4C4D25E30 -107.86 4.55 -8.72 -0.84 1
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148698 53788367 1 N3O3C10H16 A3B3C10D16 -52.17 3.06 0.0 0.0 0
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148699 53788368 10 CH2 AB2 -31.05 0.15 -9.47 1.44 0
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148700 53788369 1 O3N6C32H58 A3B6C32D58 -169.42 3.19 -8.5 -0.95 -1
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148701 53788370 1 SO3H11C13 AB3C11D13 -59.1 5.93 0.0 0.0 0
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148702 53788371 1 SO3H12C13 AB3C12D13 -77.97 4.0 -8.96 -0.41 0
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148703 53788372 1 ClN3C14H16 AB3C14D16 66.45 3.32 -9.7 -0.68 0
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148704 53788373 1 NO4C14H19 AB4C14D19 -135.87 6.15 -9.74 -0.36 0
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148705 53788374 1 OSCl2H4C6 ABC2D4E6 -35.15 0.8 -9.22 -0.81 0
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148706 53788375 1 ON4C14H22 AB4C14D22 -20.59 4.38 -8.05 0.07 0
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148707 53788376 1 N2F3O3H17C19 A2B3C3D17E19 -202.63 6.06 -8.36 -0.88 0
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148708 53788377 1 PN4O24C46H55 AB4C24D46E55 -1072.65 12.33 -9.35 -1.5 1
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148709 53788378 1 ClN3O3C24H33 AB3C3D24E33 -67.44 4.35 0.0 0.0 0
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148710 53788379 2 O2C12H15 A2B12C15 -133.03 3.43 -8.61 -0.45 0
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148711 53788380 1 ClO2F3C16H22 AB2C3D16E22 -260.68 1.86 -8.75 -0.1 0
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148712 53788381 1 O5C14H14 A5B14C14 -153.6 6.17 -9.1 -1.0 0
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148713 53788382 1 SCl2N2O8H26C32 AB2C2D8E26F32 -212.49 4.13 -9.35 -0.96 0
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148714 53788383 1 SO4C14H24 AB4C14D24 -208.25 2.08 -8.87 0.46 0
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148715 53788384 1 SN2O2C10H14 AB2C2D10E14 -55.13 1.29 -7.81 0.11 1
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148716 53788385 1 ClNO2C14H19 ABC2D14E19 -26.77 5.9 0.0 0.0 0
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148717 53788386 1 O4C23H38 A4B23C38 -225.51 5.52 -9.82 0.86 0
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148718 53788387 1 NCl3O3C20H36 AB3C3D20E36 -207.67 2.27 -10.13 -0.76 0
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148719 53788388 1 ClOSC7H7 ABCD7E7 -13.9 2.04 -9.4 -0.48 0
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148720 53788389 1 N2O6C21H28 A2B6C21D28 -207.69 3.63 -8.12 -0.76 0
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148721 53788390 1 SN2O4C10H20 AB2C4D10E20 -178.81 6.4 -9.77 -0.24 0
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148722 53788391 1 SiC17H18 AB17C18 18.16 1.27 -8.16 -0.8 0
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148723 53788392 1 ClNPSO4C9H11 ABCDE4F9G11 -158.49 6.75 -10.23 -1.34 0
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148724 53788393 1 F3S3O5N10H17C18 A3B3C5D10E17F18 -125.67 7.15 -9.59 -1.27 0
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148725 53788394 2 ClNH4C5 ABC4D5 55.29 5.69 -9.36 -0.9 0
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148726 53788395 1 O3C23H36 A3B23C36 -178.96 2.19 -9.04 0.38 0
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148727 53788396 1 N3O5C30H43 A3B5C30D43 -247.79 2.09 -9.56 -0.06 0
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148728 53788397 1 ClNO2C5H8 ABC2D5E8 -108.55 0.95 -10.99 -0.66 0
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148729 53788398 1 OF3C17H25 AB3C17D25 -218.88 3.55 -9.19 0.05 0
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148730 53788399 1 O3N7C31H33 A3B7C31D33 9.37 2.35 -8.54 -0.72 0
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148731 53788400 1 N2F3H5C8 A2B3C5D8 -83.1 6.74 -9.52 -0.9 0
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148732 53788401 1 N4O4C13H18 A4B4C13D18 -130.6 6.14 -8.51 -0.3 0
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148733 53788402 1 SO5C13H16 AB5C13D16 -188.64 4.89 -9.12 -0.27 0
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148734 53788403 2 CON3H4 ABC3D4 72.01 5.36 -9.69 -0.89 -2
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148735 53788404 2 COH3N3 ABC3D3 74.84 1.98 -8.69 -1.44 0
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148736 53788405 1 FH25C28 AB25C28 90.41 1.8 -8.52 -0.94 0
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148737 53788406 1 NOC18H29 ABC18D29 -43.52 3.96 -8.74 0.42 0
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148738 53788407 1 NOC16H23 ABC16D23 -27.61 4.02 -8.73 0.42 0
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148739 53788408 1 N2O7C19H24 A2B7C19D24 -166.09 6.01 -8.77 -1.23 0
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148740 53788409 1 BrOF4H5C10 ABC4D5E10 -202.13 3.14 -9.45 -1.3 0
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148741 53788410 1 BrOF4H5C10 ABC4D5E10 -202.13 3.14 -9.45 -1.3 0
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148742 53788411 1 N3O3C7H9 A3B3C7D9 -99.07 6.14 -9.66 -1.11 0
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148743 53788412 1 SN5O6C35H41 AB5C6D35E41 -178.68 10.9 -8.29 -0.34 0
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148744 53788413 1 NPO6C30H54 ABC6D30E54 -352.8 1.63 -8.6 0.27 0
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148745 53788414 1 ClN3O4C19H24 AB3C4D19E24 -116.63 6.7 -9.29 -0.88 0
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148746 53788415 2 O4C21H28 A4B21C28 -274.35 12.53 -8.85 -0.66 0
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148747 53788416 1 N3O6C30H35 A3B6C30D35 -178.47 1.54 -9.55 -1.23 0
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148748 53788417 1 ClOF3H10C16 ABC3D10E16 -147.9 2.44 -9.13 -0.89 0
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148749 53788418 1 ClOF3H10C16 ABC3D10E16 -147.78 2.48 -9.09 -0.89 0
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148750 53788419 1 O2F3N3C16H20 A2B3C3D16E20 -212.6 4.05 -9.92 -1.47 0
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148751 53788420 1 FO2N3C15H18 AB2C3D15E18 -103.01 3.2 -9.84 -1.4 0
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148752 53788421 1 PSiN5O5C19H36 ABC5D5E19F36 -259.36 1.46 -8.84 -0.5 0
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148753 53788422 1 ON2C6H12 AB2C6D12 -18.33 5.37 -9.2 -0.32 0
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148754 53788423 1 ClSO2N5H24C27 ABC2D5E24F27 54.88 9.04 -9.13 -0.98 0
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148755 53788424 1 NOF4C19H19 ABC4D19E19 -187.75 4.57 -9.85 -0.98 0
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148756 53788425 1 IO3C20H33 AB3C20D33 -137.92 4.25 -9.53 -0.65 0
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148757 53788426 1 ON2C11H12 AB2C11D12 52.82 1.48 -9.36 -0.45 0
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148758 53788427 1 ClNO2H18C19 ABC2D18E19 -53.24 4.74 -9.41 -0.91 0
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148759 53788428 1 ClNSO4C10H10 ABCD4E10F10 -129.29 5.09 -10.39 -1.16 0
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148760 53788429 1 NO3H15C16 AB3C15D16 -73.62 5.19 -9.04 -0.15 0
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148761 53788430 1 O3C21H32 A3B21C32 -141.21 5.29 -8.7 -0.11 0
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148762 53788431 1 NO2C12H19 AB2C12D19 -65.87 2.95 -8.73 0.38 0
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148763 53788432 2 NC4H4 AB4C4 49.92 3.54 -8.26 -0.34 0
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148764 53788433 2 NO2C6H12 AB2C6D12 -193.63 1.51 -9.72 0.91 0
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148765 53788434 1 NSO5C11H21 ABC5D11E21 -240.45 5.59 -9.8 0.47 0
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148766 53788435 1 BSiO3C11H19 ABC3D11E19 -271.74 1.89 -9.1 0.18 2
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148767 53788436 1 Cl2N6O9H22C24 A2B6C9D22E24 -55.76 8.51 -9.44 -2.57 0
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148768 53788437 2 NOC8H8 ABC8D8 -33.24 5.04 -8.53 -0.05 0
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148769 53788438 2 S3C5H7 A3B5C7 57.34 3.39 -8.92 -2.19 0
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148770 53788439 1 NSiO4C34H47 ABC4D34E47 -184.81 2.92 -8.99 -0.76 0
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148771 53788440 1 NSO6C17H33 ABC6D17E33 -317.49 4.27 -10.27 -0.41 0
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148772 53788441 1 SN2O5H12C16 AB2C5D12E16 -131.58 5.44 -9.21 -1.52 0
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148773 53788442 1 SN3O4H19C20 AB3C4D19E20 -92.4 4.23 -9.12 -0.65 0
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148774 53788443 1 SN2O7C27H34 AB2C7D27E34 -212.06 9.82 -8.89 -1.38 0
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148775 53788444 1 SO2N5C18H23 AB2C5D18E23 -17.54 2.81 -8.2 -0.16 0
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148776 53788445 1 ClFON3H13C18 ABCD3E13F18 29.34 6.4 -9.94 -1.36 0