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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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242678 98457897 1 N3O6C29H39 A3B6C29D39 -205.94 1.5 -8.43 -0.02 0
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242680 98457904 1 N3O5C32H37 A3B5C32D37 -143.75 5.37 -8.16 -0.12 0
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242682 98457909 1 N3O5C31H41 A3B5C31D41 -187.02 5.38 -8.15 0.27 0
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242683 98457911 1 N3O5C29H39 A3B5C29D39 -186.87 6.7 -8.25 0.03 0
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242684 98457919 1 ClN3O4C28H36 AB3C4D28E36 -162.54 9.43 -8.82 -0.02 0
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242685 98457935 1 ClN3O5C27H34 AB3C5D27E34 -167.46 4.64 -9.11 -0.27 0
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242686 98457940 1 ClN3O5C28H36 AB3C5D28E36 -190.98 8.35 -8.9 -0.06 0
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242687 98457941 1 ClN3O5C28H36 AB3C5D28E36 -176.83 2.47 -9.22 -0.37 0
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242691 98457975 1 ClN3O4C29H38 AB3C4D29E38 -148.71 5.25 -8.93 -0.35 0
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242693 98457984 1 SO3N4C21H24 AB3C4D21E24 -59.01 6.06 -8.52 -0.82 0
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242694 98457989 1 ClN3O5C27H34 AB3C5D27E34 -167.24 4.71 -8.9 -0.31 0
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242697 98457997 1 ClN3O5C28H36 AB3C5D28E36 -176.51 3.17 -8.98 -0.4 0
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242700 98458014 1 ClN3O4C29H38 AB3C4D29E38 -169.18 7.19 -8.7 -0.04 0
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242701 98458016 1 ClN3O4C29H38 AB3C4D29E38 -154.71 3.44 -8.86 -0.21 0
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242702 98458017 1 ClN3O4C29H38 AB3C4D29E38 -154.65 3.17 -8.87 -0.22 0
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242703 98458018 1 ClN3O4C28H36 AB3C4D28E36 -161.8 7.12 -8.7 -0.04 0
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242704 98461896 1 NO6H31C35 AB6C31D35 -101.66 8.79 -8.34 -0.64 0
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242705 98461916 2 NO2C13H16 AB2C13D16 -144.44 3.48 -8.74 -0.53 0
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242707 98461938 1 N3C7H7 A3B7C7 75.03 2.57 -8.7 -1.17 0
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242709 98461946 1 PO2N3H33C38 AB2C3D33E38 71.91 11.45 0.0 0.0 0
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242710 98461947 1 N2O5H18C19 A2B5C18D19 -179.3 9.04 -8.88 -1.14 0
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242711 98461961 1 ClO3N5H22C31 AB3C5D22E31 107.27 4.09 -8.76 -1.34 0
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242712 98461962 1 ClO3N5H22C31 AB3C5D22E31 106.19 4.42 -8.77 -1.32 0
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242713 99008633 1 N4O5C19H20 A4B5C19D20 -90.47 6.56 -9.44 -1.54 0
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242714 99008654 1 ClO2F3N3H19C21 AB2C3D3E19F21 -165.61 4.94 -8.99 -1.12 0