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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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136587 52068785 1 O2N3C20H30 A2B3C20D30 -17.35 11.62 0.0 0.0 1
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136588 52068983 1 O2N3C25H32 A2B3C25D32 -5.65 2.42 0.0 0.0 0
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136589 52069158 1 O2N3C25H31 A2B3C25D31 -26.12 2.49 -7.93 -0.35 0
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136590 52069270 1 OCl2N3C21H21 AB2C3D21E21 21.06 3.81 -8.36 -0.92 0
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136591 52070156 3 NOC8H9 ABC8D9 -47.91 5.03 -8.56 -0.27 0
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136592 52070261 1 N3O4C26H31 A3B4C26D31 -98.9 3.21 -8.67 -0.47 0
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136593 52070271 3 NOC8H9 ABC8D9 -53.74 4.04 -8.62 -0.42 0
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136594 52070656 1 N3O4C27H31 A3B4C27D31 -65.5 3.46 -8.35 -0.45 0
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136595 52071006 1 ClO2N4H21C23 AB2C4D21E23 21.58 7.05 -8.99 -0.96 1
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136596 52071601 1 N4O5C24H33 A4B5C24D33 -107.46 17.67 0.0 0.0 0
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136597 52071602 1 N4O5C24H32 A4B5C24D32 -151.85 6.57 -8.32 -0.43 0
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136598 52071618 1 N3O4C23H33 A3B4C23D33 -129.98 6.22 -8.36 -0.41 1
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136599 52071853 1 N4O5C30H37 A4B5C30D37 -94.17 7.42 0.0 0.0 0
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136600 52071854 1 N4O5C30H36 A4B5C30D36 -111.86 2.68 -8.64 -0.21 0
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136601 52071930 1 O3N4C26H38 A3B4C26D38 -90.39 7.06 -8.34 -0.53 1
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136602 52072015 1 O3N4C23H33 A3B4C23D33 -61.65 6.53 0.0 0.0 0
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136603 52072080 1 N4O5C27H32 A4B5C27D32 -123.14 0.83 -8.52 -0.46 0
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136604 52072522 1 SN3O4C24H33 AB3C4D24E33 -127.66 5.39 -8.35 -0.41 0
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136605 52072588 1 N3O3C24H35 A3B3C24D35 -113.74 5.49 -8.38 -0.21 1
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136606 52072789 1 ClN3O4C25H33 AB3C4D25E33 -142.57 6.13 0.0 0.0 0
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136607 52072956 1 BrN4O4C24H31 AB4C4D24E31 -124.12 4.2 -8.63 -0.66 0
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136608 52073324 1 N3O6C29H37 A3B6C29D37 -178.54 3.71 -8.28 -0.12 0
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136609 52073804 1 N3O5C22H31 A3B5C22D31 -155.25 6.42 -8.45 -0.4 0
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136610 52073914 1 N3O3C26H35 A3B3C26D35 -90.7 3.0 -8.61 -0.21 0
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136611 52073946 1 N3O5C29H37 A3B5C29D37 -146.87 6.41 -8.31 -0.32 0