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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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15978 456989 1 N3H19C24 A3B19C24 135.26 4.88 -8.94 -0.89 0
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15979 457079 1 N5O16C45H53 A5B16C45D53 -359.23 26.39 -7.89 -3.79 0
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15980 457160 1 OCl2N3H15C18 AB2C3D15E18 53.71 4.77 -9.54 -0.59 0
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15981 457170 1 ClO2N3C45H70 AB2C3D45E70 -132.57 6.16 -8.69 -0.66 0
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15982 457198 1 Na3S4N5O12H22C33 A3B4C5D12E22F33 -271.63 74.95 -7.42 -2.48 0
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15983 457203 1 NOSC18H25 ABCD18E25 9.63 4.2 -8.47 0.08 0
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15984 457204 1 NSO2C17H23 ABC2D17E23 -18.07 3.64 -8.73 -0.18 0
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15985 457205 1 OSN2C19H28 ABC2D19E28 18.32 3.29 -8.3 0.0 0
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15986 457252 1 N3O14C51H65 A3B14C51D65 -497.04 6.01 -8.33 -1.83 0
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15987 457294 1 N4C11H12 A4B11C12 112.29 7.08 -9.54 -0.66 0
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15988 457342 1 OF3N6C17H17 AB3C6D17E17 -120.24 5.48 -8.74 -0.89 0
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15989 457349 1 O2N6C19H24 A2B6C19D24 -7.09 4.76 -7.96 -0.66 0
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15990 457385 1 PN4H22C23 AB4C22D23 111.68 6.79 0.0 0.0 1
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15991 457448 1 NO2H11C12 AB2C11D12 -45.56 5.46 -8.83 -0.72 0
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15992 457450 1 ON4C11H12 AB4C11D12 27.08 1.4 -8.8 -0.84 0
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15993 457451 1 ON3C14H17 AB3C14D17 0.93 2.19 -8.24 -0.33 0
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15994 457465 2 NOSC13H16 ABCD13E16 -76.66 3.46 -8.98 -1.52 0
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15995 457487 2 NSO2C11H14 ABC2D11E14 -152.41 2.35 -9.34 -1.69 0
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15996 457489 2 NSO2C11H14 ABC2D11E14 -164.45 7.82 -8.41 -0.84 0
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15997 457491 2 NSO2C11H14 ABC2D11E14 -162.42 4.24 -8.64 -0.88 0
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15998 457495 2 NSO2C13H16 ABC2D13E16 -172.03 3.65 -8.47 -0.86 0
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15999 457551 1 BrSSiN2O2C18H19 ABCD2E2F18G19 -56.08 3.99 -8.65 -0.7 0
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16000 457566 1 N3C18H29 A3B18C29 -7.99 2.24 -7.42 0.72 0
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16001 457604 1 Cl2N2O3C15H16 A2B2C3D15E16 -113.07 9.95 -9.16 -0.76 0
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16002 457605 1 Cl2N8O12C29H48 A2B8C12D29E48 -503.35 6.51 -9.04 -0.74 0
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16003 457611 1 NF2C8H9 AB2C8D9 -74.15 3.12 -9.38 -0.31 0
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16004 457613 1 NF2C10H13 AB2C10D13 -84.03 3.29 -9.29 -0.2 0
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16005 457665 1 O5H10C14 A5B10C14 -170.39 4.8 -9.41 -1.05 0
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16006 457670 1 O11C20H20 A11B20C20 -399.53 6.04 -8.32 -1.5 0
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16007 457699 1 FN2O18C42H47 AB2C18D42E47 -768.47 12.53 -9.28 -2.4 0
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16008 457729 1 ClNOH8C13 ABCD8E13 21.93 2.36 -9.78 -1.57 0
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16009 457801 1 OC29H50 AB29C50 -134.74 2.34 -9.11 1.44 0
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16010 457811 1 O2N3C10H17 A2B3C10D17 -39.77 3.97 -9.14 0.48 0
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16011 457821 1 NO14C45H79 AB14C45D79 -715.15 9.84 -9.09 0.48 0
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16012 457824 1 O4C17H24 A4B17C24 -134.73 1.52 -9.12 0.73 0
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16013 457826 1 NaO6C25H29 AB6C25D29 -260.25 4.18 -8.91 0.46 0
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16015 457861 1 ClO6N10C29H43 AB6C10D29E43 -149.57 6.9 -8.62 -0.82 0
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16016 457863 1 S2N5O7C33H41 A2B5C7D33E41 -226.78 5.71 -8.85 -0.84 0
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16017 457881 1 N3O10C30H41 A3B10C30D41 -363.15 8.84 -8.75 -0.36 0
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16018 457886 1 O11C17H22 A11B17C22 -466.04 3.37 -10.2 -0.84 0
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16019 457925 1 S2N3O5C11H19 A2B3C5D11E19 -120.4 4.27 -8.9 -1.67 0
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16020 457927 1 N4O7C51H70 A4B7C51D70 -290.97 5.14 -9.02 -1.04 0
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16021 457928 2 O3C18H28 A3B18C28 -357.6 5.86 -9.71 0.28 0
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16022 457933 1 S2O7N9C41H61 A2B7C9D41E61 -297.02 4.8 -8.6 -0.28 0
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16023 457947 1 N3O12C50H71 A3B12C50D71 -485.34 12.13 -7.56 -1.68 0
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16024 457973 1 O4N8C13H14 A4B8C13D14 -13.01 5.32 -10.17 -1.54 0
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16025 457974 1 PN3O7C10H14 AB3C7D10E14 -337.36 3.49 -9.62 -0.73 0
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16026 457982 2 NO2C5H6 AB2C5D6 -129.22 8.67 -9.64 -0.47 0
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16027 458010 1 O5H14C16 A5B14C16 -109.69 6.89 -8.77 -1.28 0
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16028 458027 1 NO5C12H15 AB5C12D15 -200.38 4.19 -10.02 -0.57 0