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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227750 87562381 1 ClN2O4H29C30 AB2C4D29E30 -49.89 3.11 -8.82 -1.21 0
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227751 87562383 1 SO3C11H14 AB3C11D14 -76.32 4.16 -9.22 -0.34 0
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227752 87562389 1 BrO2N3C10H14 AB2C3D10E14 -60.55 2.88 -9.41 -0.82 0
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227753 87562392 1 O3N5C12H15 A3B5C12D15 -57.91 6.54 -9.19 -0.95 0
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227754 87562396 1 S2F3N6O6H17C20 A2B3C6D6E17F20 -240.71 8.51 -8.92 -1.97 0
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227755 87562397 1 SN2O3F6H16C21 AB2C3D6E16F21 -333.2 4.31 -9.56 -1.72 0
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227756 87562398 1 SN2O3F6H16C21 AB2C3D6E16F21 -333.17 4.26 -9.57 -1.73 0
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227757 87562401 1 Cl2O2N7C29H31 A2B2C7D29E31 87.6 6.38 -9.08 -2.12 0
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227758 87562403 2 N2O2H12C13 A2B2C12D13 0.59 2.72 -9.03 -1.18 0
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227759 87562406 1 ClNO3C9H10 ABC3D9E10 -42.75 1.72 -10.17 -1.33 0
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227760 87562407 1 BrCl2O2F3N4H32C34 AB2C2D3E4F32G34 -182.82 4.97 -9.39 -1.13 0
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227761 87562410 1 O9H18C20 A9B18C20 -320.51 6.95 -10.24 -0.69 0
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227762 87562411 1 SO2N7C22H25 AB2C7D22E25 39.51 5.62 -8.63 -0.85 0
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227763 87562414 1 F3N3S3O4H24C29 A3B3C3D4E24F29 -188.36 3.37 -9.12 -1.38 0
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227764 87562416 1 ON3H13C19 AB3C13D19 108.48 6.01 -9.08 -1.9 0
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227765 87562417 1 NSeO3C17H33 ABC3D17E33 -190.0 10.55 -7.91 0.56 0
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227766 87562427 1 NSCl2O3C5H9 ABC2D3E5F9 -133.94 1.52 -9.26 -1.63 0
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227767 87562432 1 ClSN2O2C12H13 ABC2D2E12F13 -32.37 2.43 -8.5 -0.88 0
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227768 87562437 1 ON2C6H8 AB2C6D8 -11.8 1.49 -10.63 -0.81 0
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227769 87562439 1 S2O4N7C23H27 A2B4C7D23E27 -47.52 3.93 -9.17 -1.24 0
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227770 87562445 1 ClO2N3C10H10 AB2C3D10E10 -21.88 4.23 -9.07 -0.85 0
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227771 87562446 1 BrN3O3C17H20 AB3C3D17E20 -76.97 4.53 -9.08 -0.78 0
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227772 87562448 2 O4N7C11H25 A4B7C11D25 -128.07 6.45 -8.68 0.48 0
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227773 87562452 1 N2O3H12C15 A2B3C12D15 21.39 7.27 -8.97 -1.16 0
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227774 87562456 1 BrFO2H8C9 ABC2D8E9 -38.27 4.62 -9.56 -0.51 0
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227775 87562460 1 FBr2C4H7 AB2C4D7 -66.17 2.27 -10.48 -0.88 0
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227776 87562461 1 S2N3O8C15H31 A2B3C8D15E31 -346.88 7.92 -9.2 -0.38 0
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227777 87562463 1 N2S2O5C18H22 A2B2C5D18E22 -81.19 2.63 -8.99 -0.92 0
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227778 87562468 2 FO4H16C20 AB4C16D20 -315.39 9.1 -8.63 -0.92 0
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227779 87562469 1 ClF3H8C15 AB3C8D15 -109.29 4.74 -8.89 -1.64 0
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227781 87562478 1 O3N5C27H29 A3B5C27D29 30.48 4.76 -8.97 -0.85 0
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227782 87562481 1 N2O5C34H50 A2B5C34D50 -111.61 2.44 -8.26 -0.48 0
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227783 87562482 1 O8C11H18 A8B11C18 -368.12 7.09 -10.86 -1.48 0
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227784 87562484 1 O9C17H26 A9B17C26 -425.8 13.26 -10.76 -0.87 0
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227786 87562487 1 N3O4C24H25 A3B4C24D25 -44.97 2.95 -8.88 -0.91 0
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227787 87562488 1 O4N5H21C23 A4B5C21D23 6.92 3.18 -9.25 -1.35 0
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227788 87562490 1 SF3N5O6C19H22 AB3C5D6E19F22 -344.24 12.62 -9.89 -0.62 0
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227789 87562491 1 ClO3N4C17H25 AB3C4D17E25 -96.03 0.65 -8.67 -0.98 0
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227790 87562492 1 ClSN3O3F4H16C18 ABC3D3E4F16G18 -273.59 9.04 -9.17 -1.29 0
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227791 87562493 1 SN3O3F4H15C18 AB3C3D4E15F18 -230.03 12.28 -8.88 -1.38 0
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227792 87562494 1 ClF2O3N7C61H66 AB2C3D7E61F66 -53.96 7.26 -8.03 -0.93 0
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227793 87562503 1 BSN4O4C23H31 ABC4D4E23F31 -198.43 3.66 -8.87 -0.58 0
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227794 87562506 1 BrO2C10H11 AB2C10D11 -53.55 2.63 -9.09 -0.68 0
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227795 87562507 1 F3O3N4H19C23 A3B3C4D19E23 -171.28 6.53 -8.86 -0.94 0
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227796 87562509 1 BrN2O2C11H13 AB2C2D11E13 -54.64 1.57 -8.6 -0.5 0
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227797 87562511 1 BrF2N3O4H12C14 AB2C3D4E12F14 -114.03 3.76 -10.02 -2.21 0
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227798 87562512 1 S2N3O4C35H59 A2B3C4D35E59 -257.17 8.75 -8.94 -0.27 0
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227799 87562517 1 O3C14H18 A3B14C18 -124.85 2.22 -9.74 -0.8 0
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227800 87562521 1 NO3C23H39 AB3C23D39 -136.25 5.89 -9.64 0.43 0
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227801 87562524 2 PC8H9 AB8C9 44.9 1.26 -8.56 0.19 0
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227802 87562528 1 NP2S2C76H157 AB2C2D76E157 -485.8 6.15 -8.82 0.18 0
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227803 87562533 1 N2O2C11H16 A2B2C11D16 -68.48 3.73 -9.63 0.64 1
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227804 87562535 1 SN5C24H36 AB5C24D36 87.14 2.77 0.0 0.0 0
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227805 87562536 1 N2O4C15H16 A2B4C15D16 -117.12 3.01 -8.76 -0.64 0
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227806 87562540 1 FN3O3H18C26 AB3C3D18E26 38.72 3.96 -9.22 -1.31 0
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227807 87562542 1 N2O4F6H18C21 A2B4C6D18E21 -367.45 6.73 -10.16 -1.7 0
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227808 87562548 1 ClOSN5C24H34 ABCD5E24F34 -30.83 5.66 -8.24 -1.03 0
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227809 87562550 1 NOC15H21 ABC15D21 -42.65 4.43 -9.41 0.24 0
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227810 87562551 2 SN2O2C11H12 AB2C2D11E12 -115.83 5.22 -9.2 -1.14 0
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227811 87562554 1 NOC15H17 ABC15D17 26.96 2.0 -9.22 -0.26 0
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227812 87562558 1 NO3H15C22 AB3C15D22 22.12 3.66 -9.28 -1.35 0
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227813 87562560 1 NO3C19H37 AB3C19D37 -197.44 6.98 -10.12 0.37 0
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227814 87562561 1 NO3C19H37 AB3C19D37 -199.17 5.72 -10.09 0.38 0
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227815 87562562 2 N2O2C5H6 A2B2C5D6 -94.73 4.25 -9.74 -0.55 0
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227816 87562567 1 KN2C3O3H7 AB2C3D3E7 -144.58 10.62 -8.69 0.05 0
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227817 87562577 1 S2O3N4C20H22 A2B3C4D20E22 -55.1 6.41 -9.14 -1.02 0
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227818 87562578 1 BrNO3H14C15 ABC3D14E15 -89.46 4.58 -9.34 -1.3 1
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227819 87562579 1 O2N3Cl4C23H26 A2B3C4D23E26 -36.64 2.92 0.0 0.0 0
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227820 87562580 1 NO3H15C22 AB3C15D22 26.04 4.04 -9.34 -1.37 0
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227821 87562582 1 N2O4F6H16C21 A2B4C6D16E21 -333.29 9.38 -10.03 -1.6 0
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227822 87562583 1 N2O4F6H16C21 A2B4C6D16E21 -333.2 6.4 -10.19 -1.74 0
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227823 87562590 1 SN2O5C19H36 AB2C5D19E36 -296.43 2.43 -8.86 0.25 2
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227824 87562594 1 N2O6C15H28 A2B6C15D28 -286.89 6.35 -8.99 0.31 0
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227825 87562595 1 N2O3F6H14C15 A2B3C6D14E15 -413.32 5.05 -10.39 -1.09 0
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227826 87562601 1 O2N3C9H17 A2B3C9D17 -69.98 2.45 -9.32 0.59 0