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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228058 87563295 1 N3O5C11H13 A3B5C11D13 -142.8 6.18 -9.56 -0.66 0
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228059 87563298 1 SiO2C15H29 AB2C15D29 -139.08 1.04 0.0 0.0 0
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228060 87563302 1 PO3C20H41 AB3C20D41 -248.39 2.5 -9.59 0.7 0
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228061 87563303 1 ClOC10H11 ABC10D11 -18.6 3.9 -9.45 -0.74 0
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228062 87563304 1 SN2O8C12H26 AB2C8D12E26 -270.33 10.77 -7.62 -1.29 0
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228063 87563308 1 ClN2O5C28H45 AB2C5D28E45 -251.35 5.14 -8.27 0.31 0
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228064 87563309 2 O3C14H20 A3B14C20 -279.99 2.05 -9.67 -1.06 0
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228065 87563311 1 OC16H34 AB16C34 -123.72 1.51 -9.4 2.38 0
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228066 87563312 1 O2F4N4H24C27 A2B4C4D24E27 -179.62 3.7 -9.59 -0.94 0
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228067 87563313 1 O2F4N4H24C27 A2B4C4D24E27 -188.76 7.73 -9.3 -0.85 0
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228068 87563314 2 OF3N3C6H6 AB3C3D6E6 -293.1 9.64 -9.83 -1.48 0
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228071 87563319 1 ON5C12H15 AB5C12D15 61.83 4.56 -8.84 -1.35 0
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228072 87563330 1 F3O3N5C30H30 A3B3C5D30E30 -166.56 8.64 -9.31 -0.88 0
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228073 87563334 1 ClF3O3N4H24C27 AB3C3D4E24F27 -165.42 7.78 -9.13 -0.76 0
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228074 87563336 1 PdSN2O4C16H34 ABC2D4E16F34 5.21 3.55 -5.34 -2.25 0
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228075 87563338 1 O3C30H50 A3B30C50 -207.5 1.89 -9.66 0.4 0
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228076 87563343 1 ClSO2F3N3H11C15 ABC2D3E3F11G15 -190.52 3.8 -9.5 -1.78 0
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228077 87563344 1 SO2F3N3H10C15 AB2C3D3E10F15 -153.44 5.31 -9.22 -1.78 0
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228078 87563345 1 ClSF3N3O3H11C15 ABC3D3E3F11G15 -228.16 8.5 -9.94 -1.69 0
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228079 87563347 1 ClOSF3N3H11C14 ABCD3E3F11G14 -145.39 8.38 -8.7 -1.34 0
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228080 87563348 1 OSF3N3H10C14 ABC3D3E10F14 -114.33 3.86 -8.51 -1.6 0
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228081 87563349 1 NS2F3O5H6C13 AB2C3D5E6F13 -217.07 3.79 -9.13 -1.96 0
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228082 87563350 1 O4N5H15C18 A4B5C15D18 -76.31 7.62 -9.43 -1.52 0
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228083 87563352 1 NSO4F8H13C15 ABC4D8E13F15 -548.53 4.55 -10.03 -1.46 -1
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228084 87563361 1 N2O2C5H9 A2B2C5D9 -52.6 2.6 0.0 0.0 0