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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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50817 12013406 1 N3O4C26H27 A3B4C26D27 -49.5 8.94 -8.4 -0.94 0
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50818 12013407 1 N3O4H23C25 A3B4C23D25 -38.21 9.52 -8.54 -1.08 0
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50819 12013408 1 O3N4C29H32 A3B4C29D32 -21.84 2.74 -8.14 -0.54 0
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50820 12013409 1 N3O4H23C26 A3B4C23D26 -44.95 8.63 -8.96 -1.49 0
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50821 12013410 1 N2Cl3S4H11C17 A2B3C4D11E17 107.62 6.94 -8.39 -1.52 0
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50822 12013411 2 NS2H5C8 AB2C5D8 129.8 6.81 -8.22 -1.41 0
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50823 12013412 2 NS2H6C8 AB2C6D8 127.12 6.63 -8.3 -1.36 0
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50824 12013413 1 N2O5C19H24 A2B5C19D24 -188.01 4.5 -8.96 -0.19 0
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50825 12013414 1 N2O5C19H24 A2B5C19D24 -187.94 3.92 -8.96 -0.76 0
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50826 12013415 1 N2S2O5C26H26 A2B2C5D26E26 -132.16 3.9 -8.49 -1.08 0
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50827 12013416 1 N2S2O5C26H26 A2B2C5D26E26 -130.7 3.22 -8.71 -1.17 0
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50828 12013417 1 N2S2O5C27H28 A2B2C5D27E28 -140.29 3.8 -8.59 -1.17 0
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50829 12013418 1 N2S2O5C27H28 A2B2C5D27E28 -137.98 3.48 -8.72 -1.13 0
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50830 12013419 1 N2S2O5H26C30 A2B2C5D26E30 -95.45 4.3 -8.64 -1.2 0
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50831 12013420 1 N2S2O5H26C30 A2B2C5D26E30 -92.55 3.45 -8.78 -1.24 0
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50832 12013421 1 N2O7C26H26 A2B7C26D26 -239.55 4.16 -8.98 -0.72 0
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50833 12013422 1 N2O7C26H26 A2B7C26D26 -237.64 2.36 -8.99 -0.93 0
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50834 12013423 1 ON2S2H14C19 AB2C2D14E19 65.27 3.36 -8.83 -1.25 0
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50835 12013424 1 ON2S2H16C20 AB2C2D16E20 57.28 2.65 -8.91 -1.26 0
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50836 12013425 1 N2O3H14C19 A2B3C14D19 -40.55 2.37 -9.56 -1.1 0
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50837 12013426 1 BON2F4C9H11 ABC2D4E9F11 -311.47 12.76 -10.32 -2.25 1
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50838 12013427 1 ON2C9H11 AB2C9D11 31.26 4.4 0.0 0.0 0
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50839 12013428 1 O3C13H16 A3B13C16 -101.49 3.63 -9.0 -0.71 0
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50840 12013429 1 ON2C22H22 AB2C22D22 20.21 4.75 -8.23 -0.22 0
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50841 12013430 1 ON2H20C21 AB2C20D21 21.58 7.27 -8.33 -0.36 0
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50842 12013431 1 ON2C24H26 AB2C24D26 8.73 1.77 -7.95 -0.07 0
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50843 12013432 1 BrON2H21C22 ABC2D21E22 22.62 9.9 -8.36 -0.55 0
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50844 12013433 1 N2O2C23H24 A2B2C23D24 -20.82 6.88 -8.19 -0.27 0
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50845 12013434 1 N2O3C26H28 A2B3C26D28 -86.62 4.59 -8.23 -0.63 0
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50846 12013435 1 OSiN2C30H40 ABC2D30E40 -49.69 3.86 -8.15 -0.15 0
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50847 12013436 1 SN2O3H24C27 AB2C3D24E27 -25.51 8.81 -8.08 -1.08 0
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50848 12013437 1 Br2H2S3C8 A2B2C3D8 95.37 0.15 -8.73 -1.08 0
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50849 12013438 1 S3Br4C8 A3B4C8 108.72 2.22 -8.88 -1.34 0
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50850 12013439 1 HBr3S3C8 AB3C3D8 99.87 1.15 -8.81 -1.23 0
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50851 12013440 1 BrH3S3C8 AB3C3D8 81.7 0.25 -8.61 -0.93 0
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50852 12013441 1 Br2H2S3C8 A2B2C3D8 88.65 1.72 -8.72 -1.08 0
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50853 12013442 1 Br2H2S3C8 A2B2C3D8 90.17 1.3 -8.72 -1.08 0
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50854 12013443 1 SiBr3S3H9C11 AB3C3D9E11 51.38 3.0 -8.53 -1.02 0
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50855 12013444 1 HBr3S3C8 AB3C3D8 98.63 2.15 -8.79 -1.23 0
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50856 12013445 2 NC5H8 AB5C8 8.74 5.18 -9.19 1.45 0
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50857 12013446 1 NO2F12C15H17 AB2C12D15E17 -699.32 3.29 -11.03 -1.34 0
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50858 12013447 1 NO3F12C15H17 AB3C12D15E17 -755.01 4.81 -11.25 -1.61 1
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50859 12013448 1 ClPN2O2C12H15 ABC2D2E12F15 -100.37 2.5 0.0 0.0 1
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50860 12013449 1 ClPN2O2C11H13 ABC2D2E11F13 -93.36 1.87 0.0 0.0 0
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50861 12013450 1 PN2O2S2C19H23 AB2C2D2E19F23 -92.27 8.69 -7.78 -0.7 0
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50862 12013451 1 PN2O2S2C17H19 AB2C2D2E17F19 -80.99 5.57 -8.36 -0.6 0
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50863 12013452 1 PN2O2S2C19H23 AB2C2D2E19F23 -88.99 5.56 -8.56 -0.34 0
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50864 12013453 1 PN2O2S2C20H25 AB2C2D2E20F25 -91.07 7.81 -8.39 -0.3 0
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50865 12013454 1 PN2O2S2C18H21 AB2C2D2E18F21 -84.23 5.62 -8.43 -0.53 0
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50866 12013455 1 BNPC22H25 ABCD22E25 114.52 3.78 -8.79 -0.1 0
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50867 12013456 1 NPC22H22 ABC22D22 85.04 5.27 -8.8 0.03 0
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50868 12013457 1 BNPC24H27 ABCD24E27 136.68 3.43 -8.65 -0.51 0
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50869 12013458 1 NPC24H24 ABC24D24 104.09 4.69 -8.88 -0.02 0
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50870 12013459 1 BNPC28H29 ABCD28E29 142.23 2.35 -8.72 -0.2 0
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50871 12013461 1 NS2O6H21C26 AB2C6D21E26 -128.12 7.74 -9.97 -1.26 0
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50872 12013462 1 N2O6H16C17 A2B6C16D17 -127.87 5.48 -10.33 -1.48 0
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50873 12013463 1 SN2O6H18C21 AB2C6D18E21 -96.86 1.37 -10.22 -1.4 0
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50874 12013464 1 N2O4H14C21 A2B4C14D21 -68.82 1.2 -10.02 -1.37 0
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50875 12013465 1 NO4C18H19 AB4C18D19 -136.11 2.78 -10.11 -1.43 0
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50876 12013466 1 NO4H21C27 AB4C21D27 -64.16 3.77 -9.42 -1.48 0
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50881 12013471 1 BCl2H3F6C8 AB2C3D6E8 -368.07 1.5 -11.15 -1.78 0
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50882 12013472 1 N2O3C6H14 A2B3C6D14 -86.51 2.97 -9.93 0.02 0
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50883 12013473 1 N2O3C7H16 A2B3C7D16 -95.03 3.58 -10.05 0.05 0
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50884 12013474 1 N2O3C8H18 A2B3C8D18 -93.07 3.28 -9.48 0.21 0
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50885 12013475 1 N2O3C9H20 A2B3C9D20 -94.64 2.86 -9.52 0.33 0
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50886 12013476 1 N2O3C8H18 A2B3C8D18 -98.43 3.89 -9.56 0.21 0
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50887 12013477 1 N2O4C7H14 A2B4C7D14 -115.8 3.77 -9.5 -0.24 0
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50888 12013479 1 SiO2C11H26 AB2C11D26 -184.86 1.68 -9.07 1.33 0
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50889 12013480 1 SiO2C12H28 AB2C12D28 -193.16 1.59 -9.1 1.33 0
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50890 12013481 1 SiO2C14H24 AB2C14D24 -146.89 1.57 -9.15 0.36 0
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50891 12013482 1 N2O4H8C11 A2B4C8D11 -41.9 4.94 -10.21 -1.99 0
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50892 12013483 2 NO2H6C7 AB2C6D7 -52.98 5.31 -10.01 -1.91 0
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50893 12013484 1 BrN2O4H11C14 AB2C4D11E14 -51.11 5.97 -9.94 -1.85 0
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50894 12013485 2 NO2C8H8 AB2C8D8 -54.64 5.39 -9.96 -1.91 0
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50895 12013486 1 ON2H8C11 AB2C8D11 17.43 1.27 -9.14 -1.43 0
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50896 12013487 1 ON2H12C14 AB2C12D14 4.98 0.85 -8.99 -1.28 0
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50897 12013488 1 BrON2H11C14 ABC2D11E14 6.67 2.33 -9.08 -1.52 0
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50898 12013489 1 ON2C16H16 AB2C16D16 1.8 0.91 -8.98 -1.27 0
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50899 12013490 1 NBr2C6H7 AB2C6D7 26.59 1.7 -10.73 -0.72 0
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50900 12013491 1 Br2O2C7H10 A2B2C7D10 -91.0 3.08 -10.52 -0.48 0
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50901 12013492 1 BrNOC7H10 ABCD7E10 -13.4 5.69 -10.41 -0.52 0
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50902 12013493 1 BrNOC7H10 ABCD7E10 -14.79 3.73 -10.36 -0.44 0
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50903 12013494 1 BrNC6H6 ABC6D6 87.86 2.4 -10.41 -0.88 0
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50904 12013495 1 BrNC6H6 ABC6D6 49.76 2.92 -10.04 -0.2 0
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50905 12013497 1 NOC7H9 ABC7D9 9.59 4.8 -9.09 0.95 0
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50906 12013498 1 SN3C7H15 AB3C7D15 -5.68 1.55 -9.17 -0.05 0
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50907 12013500 1 OC11H12 AB11C12 -2.23 3.35 -9.91 -0.45 0
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50908 12013501 1 OH14C16 AB14C16 31.55 2.95 -9.46 -0.44 0
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50909 12013502 1 OH14C18 AB14C18 84.49 3.02 -9.2 -0.42 0
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50910 12013503 1 OH14C18 AB14C18 83.6 3.16 -9.34 -0.59 0
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50911 12013504 1 OC13H14 AB13C14 19.49 3.08 -9.94 -0.47 0
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50912 12013505 1 OC13H14 AB13C14 -1.38 3.39 -9.89 -0.43 0
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50913 12013506 1 OH14C17 AB14C17 36.89 3.41 -9.08 -0.5 0
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50914 12013507 1 SO2N5H19C21 AB2C5D19E21 54.77 4.09 -8.38 -0.74 0
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50915 12013508 1 OSN5H15C19 ABC5D15E19 113.4 2.16 -8.42 -0.87 0
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50916 12013509 1 OSN5H17C20 ABC5D17E20 105.57 7.41 -8.48 -0.88 0
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50917 12013510 1 SO3N5H15C19 AB3C5D15E19 59.62 10.38 -8.48 -1.98 0
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50918 12013511 1 SO3N5H17C20 AB3C5D17E20 49.53 11.27 -8.43 -1.87 0
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50919 12013512 1 SO2N5H13C18 AB2C5D13E18 105.81 10.96 -8.48 -2.0 0
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50920 12013514 1 FO2C11H13 AB2C11D13 -125.01 1.15 -9.8 -0.24 0