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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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219491 85148755 1 SO4N6H24C26 AB4C6D24E26 -48.97 1.87 -9.09 -1.36 0
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219492 85148756 1 O3N8C27H32 A3B8C27D32 -28.12 5.23 -8.61 -0.94 0
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219493 85148757 2 O3C16H18 A3B16C18 -225.07 4.4 -9.49 -0.6 0
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219494 85148758 3 O3C9H16 A3B9C16 -476.17 5.09 -10.5 0.05 0
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219495 85148759 1 O5C32H52 A5B32C52 -299.65 5.08 -9.56 0.82 0
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219496 85148760 2 OC18H26 AB18C26 -64.77 3.36 -8.97 -1.8 0
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219497 85148761 1 NO7C30H31 AB7C30D31 -226.53 4.24 -9.16 -0.75 0
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219498 85148762 1 NO5H27C33 AB5C27D33 -29.0 3.07 -8.72 -0.74 0
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219499 85148763 1 SO3N5C28H31 AB3C5D28E31 -15.9 8.93 -7.98 -2.5 0
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219500 85148764 1 ClSN3O4C26H32 ABC3D4E26F32 -147.35 4.8 -9.44 -0.77 0
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219501 85148765 1 IN2O4C23H25 AB2C4D23E25 -84.81 4.64 -9.44 -1.58 0
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219502 85148767 1 O7N8C22H30 A7B8C22D30 -265.02 6.07 -9.62 -0.63 0
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219503 85148769 1 N4O8C25H34 A4B8C25D34 -207.33 7.28 -8.43 -1.06 0
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219504 85148770 1 N4O8C25H34 A4B8C25D34 -341.34 9.27 -8.8 -0.45 0
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219505 85148771 1 SN6O6C23H30 AB6C6D23E30 -214.07 5.65 -8.7 -0.92 0
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219506 85148772 1 SO2F3N4C26H29 AB2C3D4E26F29 -164.42 5.25 -8.56 -1.56 0
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219507 85148774 1 N5O12C19H29 A5B12C19D29 -434.89 7.18 -9.95 -1.26 0
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219508 85148775 1 PSN7O8C17H28 ABC7D8E17F28 -356.45 9.44 -9.72 -0.81 0
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219509 85148776 1 NO13C22H33 AB13C22D33 -587.24 5.1 -9.21 0.42 1
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219510 85148777 1 N2O5H27C32 A2B5C27D32 -19.14 6.88 0.0 0.0 0
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219511 85148778 1 NO7C30H33 AB7C30D33 -246.0 8.36 -8.36 -0.08 0
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219512 85148780 1 ClN3O6C26H34 AB3C6D26E34 -160.69 9.08 -8.64 -0.94 0
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219513 85148781 1 ClN7C30H30 AB7C30D30 174.75 9.26 -8.83 -0.58 0
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219514 85148783 1 O3N8H24C28 A3B8C24D28 96.96 4.26 -8.74 -2.11 0
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219515 85148784 1 N2O5H28C32 A2B5C28D32 37.26 4.17 -8.73 -1.83 0