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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410483 135083281 1 O2N3C17H23 A2B3C17D23 -23.15 6.97 -8.29 0.03 0
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410484 135083282 1 N2O2C18H29 A2B2C18D29 -59.75 2.85 0.0 0.0 0
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410485 135083283 1 ClNO5C12H14 ABC5D12E14 -158.22 6.18 -10.3 -1.4 0
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410488 135083286 1 Br2N2O2C17H22 A2B2C2D17E22 -67.47 5.77 -8.72 -1.27 0
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410489 135083287 1 NSO3C22H35 ABC3D22E35 -142.04 6.23 -7.98 -0.24 0
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410490 135083288 1 SeO4C10H14 AB4C10D14 -51.22 3.19 -9.21 -1.41 0
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410491 135083289 1 PO5H13C20 AB5C13D20 -112.55 3.7 -8.87 -1.09 0
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410492 135083290 1 BrFNO2H11C12 ABCD2E11F12 -71.75 4.92 -9.73 -0.95 0
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410493 135083291 1 CrO6H14C19 AB6C14D19 -83.18 2.1 -7.7 -0.71 0
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410494 135083292 1 CrFSiO5C16H19 ABCD5E16F19 -49.63 2.27 -7.22 -0.11 0
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410495 135083293 1 CrFNSiO4C14H14 ABCDE4F14G14 -207.95 3.62 -8.99 -0.6 0
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410496 135083294 1 CrNSO8H21C22 ABCD8E21F22 -116.96 5.17 -8.26 -0.71 0
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410497 135083295 1 NSO5C19H21 ABC5D19E21 -136.95 4.44 -9.45 -0.41 0
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410498 135083296 1 CrO7H14C15 AB7C14D15 -268.82 1.73 -8.19 -0.31 0
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410499 135083297 1 CrN2O3C12H12 AB2C3D12E12 34.53 3.59 -7.57 0.49 0
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410500 135083298 1 Br2O2N3H5C8 A2B2C3D5E8 60.52 4.35 -10.26 -2.09 0
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410501 135083299 1 P2O6C11H22 A2B6C11D22 -363.14 7.04 -10.42 0.04 0
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410502 135083300 1 P2O6C9H18 A2B6C9D18 -341.6 0.37 -10.02 0.2 0
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410503 135083301 1 P2O6C13H26 A2B6C13D26 -377.32 5.51 -9.97 0.17 0
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410506 135083304 1 BiBrOC14H14 ABCD14E14 36.93 3.66 -8.79 -1.03 0
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410507 135083305 1 AuPH24C27 ABC24D27 163.29 4.74 -7.97 -0.84 0
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410508 135083306 1 AuFPC12H19 ABCD12E19 -50.14 10.83 -8.35 0.92 -4
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410509 135083307 2 AuBrC8H18 ABC8D18 89.16 10.82 -9.44 -1.42 -4
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410511 135083309 1 AuClP2C13H32 ABC2D13E32 -13.42 28.41 -5.51 -2.17 0
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410512 135083310 1 AuPC14H26 ABC14D26 63.06 1.52 -8.42 -1.38 0