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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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172205 75479553 2 ON3C7H8 AB3C7D8 22.22 3.31 -9.31 -1.24 0
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172206 75479627 1 FO2N3C18H20 AB2C3D18E20 -95.72 4.69 -9.11 -0.36 0
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172207 75479679 1 FN2O2C18H19 AB2C2D18E19 -83.16 2.41 -8.78 0.03 0
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172208 75479686 1 OSF3N3H10C12 ABC3D3E10F12 -118.53 2.38 -9.83 -1.25 0
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172209 75479975 1 FSO3N4C18H21 ABC3D4E18F21 -122.17 6.78 -8.22 -0.82 0
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172210 75479976 1 O3N4C19H20 A3B4C19D20 -36.99 2.7 -8.84 -1.01 0
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172211 75479977 1 O2N3C19H23 A2B3C19D23 -62.55 7.93 -9.24 -0.74 0
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172212 75480363 1 N2O3H12C16 A2B3C12D16 24.97 7.86 -9.61 -1.5 0
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172213 75480512 1 ClNOC10H14 ABCD10E14 -67.56 4.22 -9.26 -0.31 0
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172214 75480850 1 NSO2C10H13 ABC2D10E13 -66.78 4.03 -9.25 -0.57 0
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172215 75481003 1 N2O3H10C11 A2B3C10D11 -26.91 6.46 -9.44 -1.71 1
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172216 75481004 1 N2O3C11H11 A2B3C11D11 -34.2 4.01 0.0 0.0 0
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172217 75481005 2 NOC7H14 ABC7D14 -146.7 0.88 -8.94 0.95 0
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172218 75481326 1 NSO4C12H21 ABC4D12E21 -214.87 3.87 -9.54 -0.43 0
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172219 75481504 1 ClSN2O6H7C9 ABC2D6E7F9 -133.99 10.12 -10.55 -2.01 0
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172220 75481505 1 ClFON2C10H12 ABCD2E10F12 -81.64 1.91 -9.23 -0.51 0
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172221 75481506 1 ClSO2C3N3H4 ABC2D3E3F4 -23.07 2.47 -11.41 -1.53 0
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172222 75481507 1 N3C8H9 A3B8C9 66.12 2.05 -8.18 0.65 0
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172223 75481508 1 BrNOC10H14 ABCD10E14 -42.89 3.2 -8.4 -0.04 0
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172224 75481509 1 NO6C13H15 AB6C13D15 -225.17 4.3 -8.88 -0.52 0
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172225 75481559 1 ClNOF3C8H15 ABCD3E8F15 -268.95 4.87 -9.5 1.69 0
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172226 75481930 1 O2N3C16H21 A2B3C16D21 -66.52 8.22 -9.38 -0.96 0
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172227 75481931 1 OSN3C15H17 ABC3D15E17 14.86 1.57 -8.56 -0.12 0
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172228 75482265 2 ON2C7H8 AB2C7D8 55.22 6.96 -9.21 -1.66 0
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172229 75482266 2 ON2C6H6 AB2C6D6 74.01 8.96 -9.23 -1.66 0