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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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214648 85083338 1 N3O5C33H47 A3B5C33D47 -208.13 5.32 -9.23 0.22 0
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214649 85083339 1 ClFN3O4C31H33 ABC3D4E31F33 -143.33 0.79 -8.71 -0.88 0
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214650 85083340 1 ClSO4N5C28H28 ABC4D5E28F28 -50.33 6.39 -8.64 -1.38 0
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214651 85083342 1 N4O7C30H38 A4B7C30D38 -223.1 7.03 -8.8 -0.37 0
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214652 85083343 1 SN2O7C30H34 AB2C7D30E34 -230.11 4.12 -9.51 -0.74 0
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214653 85083352 1 OPN2F6C29H31 ABC2D6E29F31 -346.91 3.93 -8.71 -0.57 0
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214654 85083355 1 SN4O7C28H32 AB4C7D28E32 -181.11 4.58 -9.42 -1.16 1
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214655 85083357 1 NO4C27H40 AB4C27D40 -154.99 8.88 0.0 0.0 0
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214656 85083358 1 S2N7O7H19C23 A2B7C7D19E23 -33.13 7.68 -9.22 -1.87 0
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214657 85083359 1 F2N3O3C34H39 A2B3C3D34E39 -170.15 5.54 -8.78 -0.19 0
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214658 85083360 1 N5O5C31H47 A5B5C31D47 -196.59 8.3 -9.47 -0.18 0
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214659 85083361 1 N3O5C33H51 A3B5C33D51 -171.15 9.57 -8.75 -1.31 0
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214660 85083366 1 FN6O6C28H35 AB6C6D28E35 -265.7 2.66 -8.72 -0.43 0
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214661 85083367 1 O10C31H38 A10B31C38 -378.46 7.23 -9.67 -0.9 0
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214662 85083368 6 OC6H7 AB6C7 -173.57 3.35 -9.22 0.24 0
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214663 85083369 1 ClN4O6C29H35 AB4C6D29E35 -186.42 4.57 -8.82 -0.39 0
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214664 85083370 1 ClSN4O4C29H35 ABC4D4E29F35 -173.07 5.92 -9.0 -0.85 0
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214665 85083371 1 ClN2O4C33H47 AB2C4D33E47 -167.48 2.81 -9.3 -0.79 1
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214666 85083372 1 ClN2O4C33H48 AB2C4D33E48 -184.43 7.16 0.0 0.0 0
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214667 85083373 1 INO4C27H42 ABC4D27E42 -111.94 14.6 -7.31 -0.51 1
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214668 85083374 1 NO4C27H42 AB4C27D42 -165.61 6.26 0.0 0.0 0
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214669 85083375 1 FO3N5C32H50 AB3C5D32E50 -213.06 5.84 -8.87 0.02 0
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214670 85083376 1 BrSN3O10C20H20 ABC3D10E20F20 -352.94 7.08 -10.22 -0.99 0
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214671 85083377 1 BrN5O9C21H26 AB5C9D21E26 -340.02 5.12 -9.1 -1.27 0
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214672 85083378 1 SiBr2O2C26H40 AB2C2D26E40 -150.61 2.57 -8.83 -0.28 0