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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84645 49869034 1 N4O13C40H76 A4B13C40D76 -642.76 4.79 -8.76 0.02 0
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84646 49869036 1 ON3C18H19 AB3C18D19 43.08 3.34 -8.7 -0.16 0
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84647 49869069 1 N3O3C28H33 A3B3C28D33 -59.81 3.61 -8.29 0.13 0
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84648 49869077 1 ClF2O2N9H18C20 AB2C2D9E18F20 -22.12 2.59 -8.86 -1.45 0
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84649 49869114 1 ClO3N5H10C13 AB3C5D10E13 77.97 3.06 -9.09 -1.56 0
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84650 49869117 1 NO4C25H33 AB4C25D33 -92.09 3.95 -8.72 -0.15 0
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84651 49869118 1 NO4C25H33 AB4C25D33 -91.1 3.9 -8.71 -0.14 1
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84652 49869122 1 NF2O3C36H54 AB2C3D36E54 -241.03 3.44 0.0 0.0 0
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84653 49869123 1 BrNF2O3C36H54 ABC2D3E36F54 -257.22 6.15 -7.48 -1.02 1
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84654 49869124 1 NF2O3C36H54 AB2C3D36E54 -244.59 2.76 0.0 0.0 0
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84655 49869140 1 O2S2N6H10C13 A2B2C6D10E13 85.54 4.73 -8.92 -1.72 0
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84656 49869153 1 ON2C18H24 AB2C18D24 -40.73 4.93 -8.7 0.05 0
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84657 49869155 1 ON3C15H21 AB3C15D21 -22.81 3.69 -8.67 0.43 0
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84658 49869169 1 N4O13C54H104 A4B13C54D104 -713.37 4.23 -8.5 0.34 0
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84659 49869176 1 FON4H21C23 ABC4D21E23 38.3 2.86 -8.9 -0.29 0
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84660 49869185 1 ClO3N4H9C13 AB3C4D9E13 12.98 8.38 -9.53 -1.38 0
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84661 49869196 1 ClFON5H19C20 ABCD5E19F20 7.43 4.24 -8.9 -0.82 0
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84662 49869209 1 OF3N4H21C24 AB3C4D21E24 -114.23 3.69 -8.3 -1.32 0
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84663 49869211 1 OF3N5H20C23 AB3C5D20E23 -96.48 7.55 -8.44 -1.66 0
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84664 49869216 1 F2O2N8H18C19 A2B2C8D18E19 -11.74 4.58 -8.72 -1.49 0
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84665 49869225 1 FOCl2N5C25H28 ABC2D5E25F28 -35.18 7.52 -8.57 -0.84 0
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84666 49869226 1 SO2N4C22H26 AB2C4D22E26 -3.87 7.15 -9.75 -0.51 0
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84667 49869227 1 SO3N5C22H27 AB3C5D22E27 -35.51 7.71 -9.32 -0.49 0
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84668 49869232 1 ClON3C23H24 ABC3D23E24 22.01 2.4 -8.8 -0.63 0
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84669 49869239 1 O2F3N8H17C21 A2B3C8D17E21 -63.48 7.59 -9.46 -1.9 0
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84670 49869240 1 OF5N8H15C21 AB5C8D15E21 -115.88 5.9 -9.57 -1.93 0
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84671 49869251 1 O3N5H15C16 A3B5C15D16 99.4 3.46 -8.88 -1.51 1
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84672 49869263 1 NCl2O3C36H54 AB2C3D36E54 -155.55 6.15 0.0 0.0 0
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84674 49869265 1 ClN2O3C35H54 AB2C3D35E54 -129.7 3.66 0.0 0.0 0
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84675 49869272 1 S3N5O6C26H27 A3B5C6D26E27 -143.33 2.08 -8.95 -1.28 0
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84676 49869287 1 N7O7C44H53 A7B7C44D53 -239.85 7.65 -8.76 -0.45 0
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84677 49869288 1 ClN2O2C17H21 AB2C2D17E21 -71.45 4.99 -8.68 -0.5 0
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84678 49869289 1 OSN2C15H20 ABC2D15E20 -24.45 4.25 -8.65 -0.29 0
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84679 49869290 1 FON2C17H21 ABC2D17E21 -78.95 4.0 -8.78 -0.29 0
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84680 49869291 2 NOC7H9 ABC7D9 -51.14 4.51 -8.71 -0.23 0
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84681 49869294 1 FON3C21H24 ABC3D21E24 -29.07 3.48 -8.19 -0.37 0
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84682 49869299 1 SO7N8C34H50 AB7C8D34E50 -250.3 11.85 -9.61 -0.94 0
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84683 49869300 1 SO5N6C27H44 AB5C6D27E44 -208.95 7.48 -9.39 -0.52 0
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84684 49869302 1 SO3N4H24C25 AB3C4D24E25 -19.69 5.1 -8.0 -1.33 0
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84685 49869303 1 SN3O4C23H25 AB3C4D23E25 -82.94 7.03 -8.12 -0.44 0
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84686 49869304 1 SO3N4H22C23 AB3C4D22E23 -12.77 5.17 -8.08 -1.46 0
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84687 49869306 2 ON2H12C13 AB2C12D13 18.95 5.14 -8.2 -1.01 0
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84688 49869307 1 N4O13C45H78 A4B13C45D78 -596.26 4.08 -8.7 -0.25 0
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84689 49869313 1 N4H20C21 A4B20C21 161.12 2.44 -8.98 -0.39 0
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84690 49869314 1 BrON4H15C16 ABC4D15E16 44.12 7.11 -8.81 -0.55 0
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84691 49869315 1 ClON5H22C23 ABC5D22E23 59.64 5.79 -8.64 -0.68 0
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84692 49869323 1 ClFON3C22H23 ABCD3E22F23 -44.02 2.19 -8.2 -0.23 0
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84693 49869339 1 ClNPSO6C26H31 ABCDE6F26G31 -284.97 2.45 -8.69 -0.73 0
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84694 49869340 1 ClNPSO6C24H27 ABCDE6F24G27 -275.72 3.3 -8.59 -0.65 0
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84695 49869341 1 ClNPSF3O5C20H22 ABCDE3F5G20H22 -410.06 3.73 -9.14 -0.93 0
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84696 49869347 1 OF3N5H20C23 AB3C5D20E23 -89.18 4.87 -8.36 -1.82 0
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84697 49869348 1 O2N3C26H27 A2B3C26D27 1.49 3.36 -8.01 -0.32 0
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84698 49869352 1 F2O2N10C27H34 A2B2C10D27E34 -38.71 8.63 -8.48 -0.96 0
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84699 49869359 1 OCl5N5C26H32 AB5C5D26E32 -62.08 7.05 -8.4 -0.96 0
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84700 49869360 1 OCl3N5C26H30 AB3C5D26E30 2.72 6.65 -8.56 -1.01 0
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84701 49869361 1 OCl3N5C25H28 AB3C5D25E28 8.09 7.73 -8.73 -1.01 0
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84702 49869365 1 ClO2N5C31H34 AB2C5D31E34 -3.69 5.64 -8.8 -0.56 0
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84703 49869374 1 ON4C20H24 AB4C20D24 18.26 3.79 -8.95 -0.74 0
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84704 49869375 1 ON3C16H19 AB3C16D19 -2.02 1.85 -8.93 -0.56 0
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84705 49869376 1 ON3C22H23 AB3C22D23 33.63 2.2 -8.83 -0.54 0
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84706 49869378 1 ON3C22H29 AB3C22D29 -17.86 2.68 -8.72 -0.48 0
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84707 49869379 1 SO2N4C19H24 AB2C4D19E24 -15.32 5.82 -9.12 -1.01 0
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84708 49869381 1 ON8H20C22 AB8C20D22 155.88 7.2 -9.36 -1.63 0
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84709 49869384 2 ON4C11H12 AB4C11D12 58.59 7.96 -9.23 -1.12 0
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84710 49869386 1 ON7H19C25 AB7C19D25 153.47 8.06 -9.27 -1.46 0
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84711 49869390 1 N5O5H15C16 A5B5C15D16 -6.89 1.75 -9.16 -1.58 0
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84712 49869398 1 BrClOSN2H20C21 ABCDE2F20G21 28.87 5.04 -8.86 -1.6 0
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84713 49869402 1 BrNSF2O2C35H46 ABCD2E2F35G46 -96.63 33.89 -5.36 -2.69 0
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84714 49869413 1 ClN3S3O4H20C23 AB3C3D4E20F23 -72.53 5.41 -8.91 -1.28 0
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84715 49869415 1 NO2C15H15 AB2C15D15 -44.36 5.25 -9.52 -0.5 0
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84716 49869416 1 O3N8H14C15 A3B8C14D15 59.82 1.9 -9.06 -1.67 0
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84717 49869418 1 OSN7H9C12 ABC7D9E12 160.46 2.49 -8.81 -2.27 0
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84718 49869419 1 ON7H11C14 AB7C11D14 155.61 2.78 -8.8 -2.22 0
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84719 49869429 1 ON4C19H24 AB4C19D24 33.46 6.08 -8.25 -0.27 0
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84720 49869430 1 N3C20H23 A3B20C23 54.69 4.51 -8.15 -0.18 0