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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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43991 10322775 1 ClN2O3C28H29 AB2C3D28E29 -56.26 5.74 -8.07 -0.26 0
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43992 10322781 1 NSF3O4H22C24 ABC3D4E22F24 -276.08 5.09 -9.21 -1.08 0
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43993 10322784 1 SN5O6C21H27 AB5C6D21E27 -156.77 12.23 -8.9 -1.36 0
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43994 10322804 1 OF2N2Cl3H13C23 AB2C2D3E13F23 -40.69 2.58 -9.58 -0.9 0
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43995 10322806 1 BrClN2O3C22H22 ABC2D3E22F22 -57.71 5.25 -8.62 -1.06 0
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43996 10322809 1 ClS2N5O6C16H20 AB2C5D6E16F20 -143.56 7.18 -9.57 -1.42 1
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43997 10322816 1 O2N3H24C25 A2B3C24D25 32.57 1.95 0.0 0.0 0
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43998 10322820 1 O8H26C27 A8B26C27 -250.15 1.15 -9.0 -0.47 0
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43999 10322832 1 SN2O5C26H26 AB2C5D26E26 -150.04 4.43 -8.68 -1.5 0
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44000 10322836 2 ON2C15H15 AB2C15D15 35.14 5.13 -8.58 -1.03 0
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44001 10322837 2 ON2C15H15 AB2C15D15 5.21 4.82 -8.46 -0.51 0
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44002 10322839 1 SN2O6C24H34 AB2C6D24E34 -230.39 6.64 -8.31 -0.75 0
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44003 10322842 1 N2O4C29H38 A2B4C29D38 -154.41 3.36 -8.32 -0.77 0
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44004 10322856 1 ClO2N4C27H31 AB2C4D27E31 -31.24 3.48 -7.93 -0.42 1
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44005 10322865 1 NPO4H23C29 ABC4D23E29 -59.76 16.6 0.0 0.0 0
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44006 10322866 1 N5O6C24H25 A5B6C24D25 -165.36 5.43 -9.08 -0.88 0
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44007 10322871 1 N3O5C27H33 A3B5C27D33 -176.94 6.55 -8.55 -0.12 0
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44008 10322872 1 N3O5C27H33 A3B5C27D33 -174.01 4.21 -9.38 -0.74 0
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44009 10322877 1 NPS3O4C20H34 ABC3D4E20F34 -238.54 5.97 -8.39 -0.33 0
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44010 10322880 1 NO2C25H37 AB2C25D37 -111.48 3.01 -8.66 0.1 0
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44011 10322882 1 N2Cl3O4H17C22 A2B3C4D17E22 -72.04 7.04 -8.64 -1.47 0
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44012 10322898 1 N2F3O5C24H27 A2B3C5D24E27 -348.84 7.43 -9.23 -0.22 0
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44013 10322900 6 OH4C5 AB4C5 -98.53 4.81 -9.29 -1.75 0
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44014 10322901 1 N2O7C26H28 A2B7C26D28 -250.61 6.39 -8.8 -0.66 0
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44015 10322902 1 N2O7C26H28 A2B7C26D28 -274.69 5.09 -9.17 -1.01 0
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44016 10322909 1 SN2O5C26H28 AB2C5D26E28 -101.99 4.29 -8.78 -0.98 0
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44017 10322918 1 N4O5C25H44 A4B5C25D44 -268.12 4.26 -9.35 0.14 0
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44018 10322924 1 ClSN4O5C21H25 ABC4D5E21F25 -167.86 6.49 -9.75 -1.15 0
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44019 10322926 1 O3N4C26H28 A3B4C26D28 -37.73 6.36 -8.74 -1.0 0
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44020 10322927 1 ClSN2O4C24H33 ABC2D4E24F33 -163.13 6.03 -9.87 -1.01 0
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44021 10322928 1 NCl4O5H17C19 AB4C5D17E19 -207.36 7.25 -8.93 -1.4 0
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44022 10322929 1 INO3C22H28 ABC3D22E28 -91.83 12.48 -7.49 -0.3 0
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44023 10322948 1 O2N7C27H27 A2B7C27D27 20.51 10.79 -8.04 -1.05 0
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44024 10322951 1 SN3O5C25H27 AB3C5D25E27 -107.69 8.78 -8.62 -0.56 0
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44025 10322954 1 NO8C25H39 AB8C25D39 -378.22 3.76 -9.79 0.26 0
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44026 10322960 1 ON7C28H31 AB7C28D31 69.16 3.0 -8.69 -0.3 0
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44027 10322987 1 O5H30C31 A5B30C31 -149.13 4.55 -9.46 -0.88 0
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44028 10323001 1 SN2O3C28H38 AB2C3D28E38 -145.4 3.41 -8.4 -0.8 0
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44029 10323007 1 ON2C32H54 AB2C32D54 -108.69 3.41 -8.5 1.47 0
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44030 10500530 1 NF3O3H18C21 AB3C3D18E21 -209.74 4.88 -9.68 -1.25 0
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44031 10500531 1 NO7C20H23 AB7C20D23 -256.88 3.8 -8.96 -1.65 0
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44032 10500538 1 SN3O5C18H19 AB3C5D18E19 -22.9 5.35 -9.42 -2.22 0
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44033 10500550 1 NO3C25H27 AB3C25D27 -5.02 5.31 -7.97 -0.18 0
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44034 10500555 1 NSO2H23C24 ABC2D23E24 -6.65 5.98 -8.82 -0.46 0
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44035 10500557 1 ON3C25H31 AB3C25D31 -5.31 3.36 -8.34 -0.06 2
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44036 10500583 1 FeOH18C25 ABC18D25 338.97 2.22 -7.26 -1.81 0
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44037 10500590 1 N2O6H14C21 A2B6C14D21 11.58 6.44 -9.95 -1.78 0
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44038 10500593 1 O6H18C23 A6B18C23 -162.16 3.41 -8.71 -1.0 0
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44039 10500596 1 O7C21H26 A7B21C26 -266.25 1.38 -9.65 -0.1 0
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44040 10500597 1 NSeS2H17C18 ABC2D17E18 74.73 2.84 -8.01 -0.33 0
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44041 10500599 2 O2N3C9H13 A2B3C9D13 -154.69 5.08 -8.78 -0.2 0
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44042 10500603 1 O8C19H34 A8B19C34 -403.05 2.24 -9.88 0.66 0
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44043 10500605 1 O4C25H26 A4B25C26 -83.55 4.52 -9.31 0.09 0
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44044 10500606 1 N2O5C21H30 A2B5C21D30 -238.05 3.44 -9.71 -0.05 0
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44045 10500608 1 N2O3C24H26 A2B3C24D26 -95.67 3.66 -8.79 -1.24 0
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44046 10500609 2 N2O2C10H15 A2B2C10D15 -84.75 11.63 -8.54 -0.71 0
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44047 10500610 2 N2O2C10H15 A2B2C10D15 -175.11 4.08 -9.27 -0.73 1
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44048 10500613 1 SN2H15C17 AB2C15D17 77.6 1.43 0.0 0.0 0
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44049 10500614 1 SO5C21H26 AB5C21D26 -200.21 4.0 -8.47 -0.23 0
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44050 10500615 1 SO3H22C24 AB3C22D24 -37.43 5.14 -9.29 -0.61 0
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44051 10500618 1 O5C23H34 A5B23C34 -203.73 4.98 -8.94 -0.67 0
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44052 10500620 1 SN2O5C18H34 AB2C5D18E34 -287.75 2.19 -8.41 0.4 0
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44053 10500621 3 O2C7H14 A2B7C14 -150.93 0.21 -9.07 0.06 0
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44054 10500622 2 O2C12H19 A2B12C19 -160.69 3.25 -8.67 0.17 0
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44055 10500623 1 N2O3C23H38 A2B3C23D38 -135.18 4.19 -8.67 -0.18 0
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44056 10500624 30 CH AB 142.28 0.15 -7.73 -0.68 0
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44057 10500627 2 NOSC10H13 ABCD10E13 -47.11 5.56 -8.4 -0.98 0
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44058 10500628 1 SO3C23H34 AB3C23D34 -130.44 5.15 -7.87 0.24 0
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44059 10500630 1 SN2Si2O4C15H30 AB2C2D4E15F30 -220.47 2.4 -8.93 -0.48 0
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44060 10500631 1 NSCl3O3H10C15 ABC3D3E10F15 -68.58 1.09 -9.28 -1.35 0
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44062 10500633 1 BrClN3H17C18 ABC3D17E18 76.68 1.62 -8.86 -1.06 0
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44063 10500634 1 ClO6H19C20 AB6C19D20 -167.3 4.37 -8.63 -0.89 0
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44064 10500637 1 ClN6H19C21 AB6C19D21 104.88 2.16 -8.38 -0.36 0
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44065 10500638 1 ClN2O3C21H27 AB2C3D21E27 -134.4 1.77 -9.52 -0.96 0
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44066 10500641 1 BrN2O3C18H19 AB2C3D18E19 -59.35 10.66 -8.71 -1.49 0