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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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82517 49856126 1 SO4N5C32H39 AB4C5D32E39 -73.86 7.69 -8.99 -0.82 0
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82518 49856129 1 O2N5C23H37 A2B5C23D37 -68.65 5.9 -8.31 -0.07 0
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82519 49856130 1 O2N5C20H31 A2B5C20D31 -59.03 7.26 -8.21 0.04 0
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82520 49856131 1 O2N5C26H35 A2B5C26D35 -30.52 3.91 -8.21 0.02 0
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82521 49856132 1 O4N6C31H32 A4B6C31D32 -54.49 6.78 -8.64 -0.8 0
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82522 49856133 1 N5O5C32H33 A5B5C32D33 -109.98 6.73 -8.53 -0.93 0
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82523 49856135 1 O5N6C32H34 A5B6C32D34 -97.44 4.92 -8.73 -0.79 0
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82524 49856136 1 ClFSO2N3H17C26 ABCD2E3F17G26 18.28 1.71 -8.69 -1.57 0
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82525 49856137 1 ClFO2N3H19C28 ABC2D3E19F28 15.29 6.16 -8.59 -1.09 0
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82526 49856138 1 ClFO2N3H19C28 ABC2D3E19F28 14.63 2.6 -8.76 -1.25 0
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82527 49856139 1 ClFN3O4H27C32 ABC3D4E27F32 -88.54 5.52 -8.66 -1.38 0
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82528 49856140 1 ClFSN3O3H27C32 ABCD3E3F27G32 -53.13 3.09 -8.67 -1.46 0
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82529 49856141 1 N2O6C25H26 A2B6C25D26 -151.31 6.5 -8.29 -0.29 0
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82530 49856142 1 N3O5C25H27 A3B5C25D27 -108.08 5.22 -8.27 -0.04 0
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82531 49856146 1 NO4C17H19 AB4C17D19 -83.3 3.78 -8.42 -0.52 0
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82532 49856147 1 BFNO2Si2C24H41 ABCD2E2F24G41 -265.27 1.82 -8.44 0.14 0
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82533 49856148 1 BNO2Si2C25H44 ABC2D2E25F44 -224.26 2.09 -8.36 0.59 0
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82534 49856149 1 BNO2Si2C25H44 ABC2D2E25F44 -243.68 1.7 -8.45 0.61 0
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82535 49856150 1 BNO2Si2C24H48 ABC2D2E24F48 -281.19 2.26 -8.41 1.48 0
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82536 49856151 1 BClFNO2C18H26 ABCDE2F18G26 -225.7 6.3 -8.98 0.2 0
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82537 49856152 1 BFNO2C18H25 ABCD2E18F25 -185.71 4.7 -8.92 0.27 0
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82538 49856153 1 BClFNO2C18H26 ABCDE2F18G26 -195.74 6.67 -9.26 0.22 0
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82539 49856154 1 BFNO2C18H25 ABCD2E18F25 -188.65 5.34 -9.12 0.3 0
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82540 49856155 1 BClN3O4C30H39 ABC3D4E30F39 -219.57 10.8 -9.64 -0.39 0
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82541 49856157 1 BN3O5C31H42 AB3C5D31E42 -249.74 9.93 -9.14 -0.16 0