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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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176220 76012897 1 NO3C32H53 AB3C32D53 -211.48 2.47 -9.45 1.03 0
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176221 76012992 1 O14N16C69H118 A14B16C69D118 -712.14 9.84 -9.17 -0.31 0
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176222 76012993 1 N6O7C34H54 A6B7C34D54 -324.95 6.27 -9.44 -0.51 0
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176223 76013211 1 BrO2N5C18H22 AB2C5D18E22 -16.66 5.48 -9.27 -0.55 0
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176224 76013467 1 SF2N2O2H14C19 AB2C2D2E14F19 -89.82 2.05 -9.12 -0.57 1
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176225 76013487 1 FSN2O4H14C20 ABC2D4E14F20 -105.38 4.23 0.0 0.0 1
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176226 76013488 1 FSN3O3H19C23 ABC3D3E19F23 -88.95 8.53 0.0 0.0 0
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176227 76013489 1 FSO2N3H14C20 ABC2D3E14F20 -12.99 7.63 -9.38 -1.06 0
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176228 76013507 1 ClSN2O3H17C20 ABC2D3E17F20 -47.39 7.17 -9.16 -0.62 0
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176229 76013627 1 OF2N5C23H25 AB2C5D23E25 -30.37 8.06 -8.26 -0.38 0
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176230 76014176 1 O5N6C25H28 A5B6C25D28 -114.63 6.04 -8.51 -0.4 0
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176231 76014519 1 FSO3N4C24H27 ABC3D4E24F27 -130.98 8.51 -9.26 -0.85 0
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176232 76014765 1 OCl2N2S2H14C16 AB2C2D2E14F16 -10.92 3.47 -8.61 -1.17 0
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176233 76014816 1 SN3O3H13C17 AB3C3D13E17 -28.2 1.83 -8.84 -1.8 0
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176234 76014817 1 O2S2N3H11C16 A2B2C3D11E16 17.85 4.63 -8.48 -1.94 0
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176235 76014818 1 SN3O3H13C14 AB3C3D13E14 -63.54 3.82 -9.59 -1.88 0
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176236 76015547 2 SN3O6C22H29 AB3C6D22E29 -438.57 2.09 -8.88 -0.68 0
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176237 76015585 1 ClSO3C26H41 ABC3D26E41 -199.53 6.04 -9.83 -1.19 0
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176238 76016099 1 SN12O12C34H58 AB12C12D34E58 -560.5 11.82 -9.29 -0.48 0
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176239 76016638 1 NO4C25H27 AB4C25D27 -105.02 3.14 -8.96 0.08 0
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176240 76016639 1 NO5C12H19 AB5C12D19 -220.19 2.4 -9.67 -0.63 0
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176241 76017133 2 O6C21H25 A6B21C25 -445.72 6.76 -9.38 -0.38 0
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176242 76017134 2 O6C21H25 A6B21C25 -448.82 5.84 -9.32 -0.36 0
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176243 76017135 2 O5C18H19 A5B18C19 -310.38 3.87 -8.96 -0.05 0
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176244 76017144 1 BrNOF6C31H38 ABCD6E31F38 -342.98 16.34 -7.84 -0.81 1