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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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353435 127284994 1 N2O3C16H28 A2B3C16D28 -129.72 3.26 -9.06 1.07 0
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353436 127284995 1 SN3O3C20H29 AB3C3D20E29 -126.7 6.15 -8.7 -0.68 0
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353437 127284996 1 SN3O4C16H29 AB3C4D16E29 -184.3 8.59 -8.8 0.11 0
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353438 127284997 1 SO2N5C16H27 AB2C5D16E27 -55.89 7.76 -8.46 -0.7 0
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353439 127284998 1 ClN2O3C20H29 AB2C3D20E29 -139.41 2.87 -8.74 -0.14 0
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353440 127284999 1 N3O3C19H33 A3B3C19D33 -166.35 3.66 -9.01 0.9 0
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353441 127285000 1 ClN2O3C20H29 AB2C3D20E29 -140.73 4.05 -8.79 -0.31 0
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353442 127285001 1 N3O3C19H33 A3B3C19D33 -165.87 0.99 -8.94 0.86 0
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353443 127285002 2 NO2C9H12 AB2C9D12 -137.67 2.65 -8.77 -0.73 0
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353444 127285003 1 SO2N4C13H20 AB2C4D13E20 -34.13 5.08 -9.04 -1.56 0
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353445 127285004 1 O2N5C13H21 A2B5C13D21 -33.92 5.91 -8.81 -0.65 0
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353446 127285005 1 O2N4C19H32 A2B4C19D32 -83.79 4.29 -9.1 -0.01 0
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353447 127285006 1 N3O3C19H33 A3B3C19D33 -174.98 6.66 -8.55 0.68 0
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353448 127285007 2 ON2C9H15 AB2C9D15 -79.9 8.13 -9.03 0.19 0
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353449 127285008 1 O3N4C19H24 A3B4C19D24 -35.83 4.06 -8.86 -1.38 0
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353450 127285009 3 NOC6H9 ABC6D9 -90.55 4.3 -8.98 -0.2 0
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353451 127285010 1 O2N3C18H27 A2B3C18D27 -86.03 3.18 -8.99 -0.29 0
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353452 127285011 1 O2N5C21H29 A2B5C21D29 -31.36 5.62 -8.62 -0.72 0
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353453 127285012 1 O3N4C19H34 A3B4C19D34 -169.31 3.23 -9.16 0.76 0
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353454 127285013 1 N3O3C20H35 A3B3C20D35 -171.72 4.9 -9.05 0.93 0
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353455 127285014 2 ON2C8H13 AB2C8D13 -64.73 5.09 -8.56 0.21 0
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353456 127285015 1 O2N4C17H28 A2B4C17D28 -68.21 1.59 -8.75 0.74 0
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353457 127285016 1 N3O3C19H33 A3B3C19D33 -162.78 5.68 -8.89 0.82 0
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353458 127285017 1 N3O3C20H35 A3B3C20D35 -171.09 1.63 -9.01 0.85 0
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353459 127285018 1 N3O3C19H33 A3B3C19D33 -166.07 6.15 -9.12 0.62 0
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353460 127285019 1 ClO2N4C20H25 AB2C4D20E25 -32.89 6.35 -8.82 -1.18 0
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353461 127285020 1 O2N5C21H29 A2B5C21D29 -31.37 3.58 -8.84 -0.58 0
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353462 127285021 2 ON2C8H13 AB2C8D13 -63.28 0.2 -8.96 0.48 0
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353463 127285022 1 ClO2N4C20H25 AB2C4D20E25 -32.61 7.05 -8.69 -1.18 0
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353464 127285023 1 N3O3C20H35 A3B3C20D35 -172.7 5.0 -9.33 0.62 0
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353465 127285024 1 O2N4C17H28 A2B4C17D28 -70.19 2.14 -8.88 0.72 0
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353466 127285025 1 N2O3C20H26 A2B3C20D26 -96.53 4.74 -9.02 -0.71 0
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353467 127285026 1 SN3O4C18H33 AB3C4D18E33 -202.16 2.74 -8.86 0.47 0
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353468 127285027 2 OSN2C7H11 ABC2D7E11 -36.91 3.18 -8.9 -1.12 0
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353469 127285028 1 N2O3C21H28 A2B3C21D28 -107.27 4.4 -8.96 -0.6 0
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353470 127285029 1 ClN2O3C20H29 AB2C3D20E29 -139.05 4.91 -8.95 -0.4 0
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353471 127285030 1 SO2N3C17H27 AB2C3D17E27 -84.53 5.91 -8.96 -0.52 0
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353472 127285031 1 SN3O3C17H27 AB3C3D17E27 -141.88 4.28 -8.9 -0.54 0
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353473 127285032 1 N2O3C22H30 A2B3C22D30 -117.03 3.77 -8.73 -0.49 0
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353474 127285033 1 N2O3C23H34 A2B3C23D34 -140.37 5.18 -8.61 0.37 0
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353475 127285034 1 FN2O3C22H31 AB2C3D22E31 -172.69 2.76 -8.95 -0.33 0
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353476 127285035 1 O2N3C18H29 A2B3C18D29 -90.55 5.65 -9.12 0.68 0
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353477 127285036 1 SO2N3C18H29 AB2C3D18E29 -85.86 3.89 -8.68 -1.02 0
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353478 127285037 3 NOC7H9 ABC7D9 -93.71 3.11 -8.93 -0.63 0
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353479 127285038 1 N3O3C21H37 A3B3C21D37 -174.67 3.57 -9.09 0.86 0
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353480 127285039 2 ON2C9H15 AB2C9D15 -80.14 3.98 -8.37 0.47 0
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353481 127285040 1 ClN3O3C17H26 AB3C3D17E26 -101.87 5.87 -9.17 -0.28 0
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353482 127285041 1 FSO2N3C20H24 ABC2D3E20F24 -82.64 4.37 -8.7 -1.29 0
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353483 127285042 1 BrO2N4C17H25 AB2C4D17E25 -35.78 4.28 -8.66 -0.22 0
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353484 127285043 2 FON2C9H14 ABC2D9E14 -180.76 3.73 -8.74 0.04 0