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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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