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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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383003 134974484 1 BrO3C10H15 AB3C10D15 -123.95 2.45 -10.18 -0.8 0
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383004 134974486 1 NO2C9H17 AB2C9D17 -112.5 1.3 -9.23 0.83 1
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383005 134974488 1 SiN2O3C41H57 AB2C3D41E57 -158.21 2.25 0.0 0.0 0
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383006 134974492 1 O2C15H24 A2B15C24 -102.8 1.87 -9.46 0.87 2
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383009 134974495 1 NO3C9H11 AB3C9D11 -111.32 5.32 -8.57 -0.1 0
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383010 134974496 1 OSCl2H10C13 ABC2D10E13 0.93 1.33 -9.1 -1.46 0
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383011 134974497 1 N10O11C36H60 A10B11C36D60 -492.35 13.93 -9.01 0.09 0
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383012 134974499 1 N4O7C20H30 A4B7C20D30 -287.35 11.0 -8.7 0.45 0
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383013 134974500 3 NOC5H7 ABC5D7 -100.32 2.63 -8.87 0.0 0
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383014 134974501 1 NO2C14H17 AB2C14D17 -54.2 3.13 -9.61 0.13 0
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383015 134974502 1 SiO4C16H28 AB4C16D28 -235.35 0.77 -9.02 0.12 0
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383016 134974504 1 OBr2N5C12H13 AB2C5D12E13 62.11 2.17 -8.29 -0.65 0
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383017 134974505 1 NO2H9C16 AB2C9D16 8.7 7.32 -9.24 -1.63 0
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383018 134974506 1 IN2O2C17H29 AB2C2D17E29 -79.3 3.39 -8.96 -0.95 0
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383019 134974508 1 NO8C25H33 AB8C25D33 -216.65 6.36 -8.79 -1.5 0
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383020 134974509 1 NO6C21H25 AB6C21D25 -134.2 3.48 -8.8 -1.56 1
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383021 134974510 1 NO8C38H42 AB8C38D42 -169.33 4.5 0.0 0.0 0
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383022 134974512 1 N2O2H10C13 A2B2C10D13 -5.83 3.66 -8.91 -0.87 0
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383023 134974513 2 ON2H7C10 AB2C7D10 54.55 0.82 -8.62 -1.36 0
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383024 134974514 1 NO3C17H21 AB3C17D21 -98.65 3.65 -8.51 0.06 1
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383025 134974515 1 NO3C17H18 AB3C17D18 -66.14 2.7 0.0 0.0 0
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383026 134974516 2 O2C8H11 A2B8C11 -140.99 1.12 -8.76 0.22 0
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383027 134974517 2 OC5H9 AB5C9 -77.03 3.49 -9.65 1.67 0
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383028 134974518 1 SN5O6C34H43 AB5C6D34E43 -206.27 4.46 -8.8 -0.37 0
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383029 134974519 1 SN4O5C31H38 AB4C5D31E38 -157.48 2.3 -8.72 -0.35 0
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383030 134974520 1 N5O6C31H37 A5B6C31D37 -195.72 5.44 -8.9 -0.45 0
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383031 134974521 1 O2C15H24 A2B15C24 -94.68 5.77 -9.67 -0.12 0
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383032 134974522 1 N3O5C11H17 A3B5C11D17 -175.86 3.41 -9.91 -0.05 0
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383033 134974523 1 N3O3C15H19 A3B3C15D19 -67.14 4.21 -9.14 -0.46 0
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383034 134974526 1 NSO4C20H25 ABC4D20E25 -140.84 8.71 -9.57 -0.55 0
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383035 134974527 1 NSO4C20H25 ABC4D20E25 -136.91 5.35 -9.21 -0.61 0
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383036 134974528 1 NO3C15H21 AB3C15D21 -130.61 5.63 -9.11 -0.14 0
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383037 134974529 1 OC9H18 AB9C18 -61.76 1.86 -9.94 2.4 0
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383038 134974533 1 OSN2H14C17 ABC2D14E17 51.17 3.16 -8.86 -1.32 0
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383039 134974535 1 NSO2C19H21 ABC2D19E21 -10.38 4.24 -7.41 -0.52 0
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383040 134974537 1 N5O14C40H47 A5B14C40D47 -544.82 5.68 -8.87 -0.42 0
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383041 134974539 1 N5O12C39H47 A5B12C39D47 -463.24 6.31 -8.86 -0.41 1
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383042 134974540 1 NOH28C34 ABC28D34 111.82 1.97 0.0 0.0 0
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383043 134974541 1 NOH27C34 ABC27D34 119.3 3.59 -9.16 -0.22 1
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383044 134974542 1 NOH28C34 ABC28D34 101.02 1.76 0.0 0.0 0
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383045 134974543 1 NOH27C34 ABC27D34 108.07 1.51 -8.47 -0.02 0
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383046 134974544 1 ON2H16C17 AB2C16D17 7.84 3.88 -8.67 -0.64 0
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383047 134974545 1 NSO2C10H17 ABC2D10E17 -91.11 4.41 -8.66 0.08 0
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383048 134974547 1 NSO4C19H31 ABC4D19E31 -201.5 8.91 -8.99 -0.37 -1
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383049 134974548 1 NOYC15H22 ABCD15E22 -14.03 6.27 -4.86 0.12 0
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383050 134974549 1 NO8C21H33 AB8C21D33 -353.7 7.43 -8.94 0.2 0
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383051 134974550 1 NO5C15H21 AB5C15D21 -160.92 4.24 -9.16 -0.14 0
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383052 134974554 1 ClION3H11C15 ABCD3E11F15 44.2 1.51 -9.64 -1.39 0
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383053 134974555 1 NO2C15H17 AB2C15D17 -36.94 1.63 -9.44 -0.31 0
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383054 134974556 1 C19H28 A19B28 -25.81 1.16 -8.92 0.58 0