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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381187 134971842 1 NSO3C18H19 ABC3D18E19 -98.62 3.21 -8.42 -1.03 0
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381188 134971843 2 OC7H10 AB7C10 -103.23 1.77 -10.03 0.43 0
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381189 134971844 1 O3N4C10H10 A3B4C10D10 -2.76 1.43 -9.18 -1.23 -1
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381190 134971845 1 PO7C30H32 AB7C30D32 -219.44 3.81 0.0 0.0 0
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381191 134971846 1 PO7C30H33 AB7C30D33 -225.35 1.81 -8.5 -0.64 1
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381193 134971848 1 IC29H51 AB29C51 -92.37 2.99 -9.42 -0.49 0
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381194 134971849 1 O3C29H50 A3B29C50 -232.83 3.55 -10.12 0.8 0
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381195 134971850 1 IO2C31H53 AB2C31D53 -187.64 3.12 -9.46 -0.85 0
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381196 134971852 1 O3C15H26 A3B15C26 -188.19 3.05 -10.16 0.72 0
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381197 134971853 1 O2C27H48 A2B27C48 -184.34 4.03 -9.85 2.4 0
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381198 134971854 2 OC8H14 AB8C14 -149.83 2.46 -10.16 0.99 0
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381199 134971855 1 OF3C14H17 AB3C14D17 -185.08 4.08 -9.41 0.3 0
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381200 134971858 2 NOC13H14 ABC13D14 -31.92 2.04 -9.02 -0.23 0
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381201 134971859 1 NSO4C15H15 ABC4D15E15 -116.93 4.74 -9.82 -0.92 1
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381202 134971860 1 O4C12H13 A4B12C13 -121.95 4.9 0.0 0.0 0
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381203 134971861 1 O7H16C18 A7B16C18 -195.17 1.57 -9.76 -1.13 0
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381204 134971862 2 O3H4C5 A3B4C5 -219.74 7.23 -10.26 -1.42 0
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381205 134971863 1 O2F3H15C16 A2B3C15D16 -209.6 1.67 -9.86 -0.46 0
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381206 134971864 1 O5C16H22 A5B16C22 -152.6 2.1 -9.7 -0.37 0
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381207 134971865 1 O4C21H30 A4B21C30 -172.68 2.63 -9.31 0.37 -2
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381208 134971866 1 SC2H2O7 AB2C2D7 -181.02 2.21 -11.5 -1.81 0
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381209 134971870 1 O6C21H26 A6B21C26 -252.02 5.81 -10.15 -0.69 0
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381210 134971871 1 FeO4H16C17 AB4C16D17 -47.58 3.23 -8.7 -1.32 0
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381211 134971874 1 FeO6H24C25 AB6C24D25 -4.31 11.41 -7.17 -1.32 0
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381212 134971875 1 O6H19C20 A6B19C20 -171.92 1.15 0.0 0.0 0
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381213 134971877 1 O3H13C16 A3B13C16 -37.58 6.37 0.0 0.0 0
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381214 134971878 1 FeO3H20C22 AB3C20D22 141.36 19.02 -6.84 -2.29 0
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381215 134971879 1 O3H15C17 A3B15C17 -47.76 7.88 0.0 0.0 0
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381216 134971880 1 FeO4H20C22 AB4C20D22 -55.35 4.61 -8.7 -0.32 0
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381217 134971881 1 O4H15C17 A4B15C17 -80.12 6.78 0.0 0.0 0
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381218 134971882 1 FeO4C17H18 AB4C17D18 -47.61 4.91 -8.68 -0.72 0
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381219 134971883 1 FeSO3H16C19 ABC3D16E19 -17.1 5.66 -8.97 -1.24 0
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381220 134971884 1 SO3H11C14 AB3C11D14 -31.54 6.71 0.0 0.0 0
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381221 134971885 1 O2N3C21H23 A2B3C21D23 -5.59 2.69 -8.93 0.0 0
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381222 134971886 1 INO3C27H46 ABC3D27E46 -109.43 4.79 -9.81 -1.07 0
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381223 134971887 1 O2N5C8H9 A2B5C8D9 -23.39 9.95 -9.19 -0.65 1
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381224 134971889 1 O2C8H15 A2B8C15 -77.37 0.71 0.0 0.0 0
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381225 134971890 1 INO3H14C18 ABC3D14E18 -63.42 8.93 -9.18 -1.62 0
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381226 134971891 2 NOC11H11 ABC11D11 39.13 12.6 -7.19 -1.8 1
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381227 134971892 1 N2O3C28H31 A2B3C28D31 -26.12 1.68 0.0 0.0 0
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381228 134971895 1 NC16H17 AB16C17 22.9 1.79 -7.86 -0.07 0
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381229 134971896 1 NPO3C16H20 ABC3D16E20 -94.23 2.85 -8.75 -0.27 0
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381230 134971897 1 O6H38C45 A6B38C45 -96.98 3.87 -9.33 -0.54 0
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381231 134971898 1 O5H34C38 A5B34C38 -93.26 2.78 -9.36 -0.5 0
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381232 134971899 1 O5C35H36 A5B35C36 -134.63 1.52 -9.23 0.08 0
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381233 134971900 2 OC11H11 AB11C11 -28.09 2.08 -8.76 -0.12 0
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381234 134971901 1 ClPdC3H7 ABC3D7 2.4 5.29 -7.96 0.21 0
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381237 134971905 1 O5C23H32 A5B23C32 -227.97 5.52 -9.13 -0.24 0
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381238 134971906 1 NSO2C24H35 ABC2D24E35 -76.75 2.3 -8.52 0.3 0
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381239 134971907 1 NS2O5C18H31 AB2C5D18E31 -219.97 4.0 -8.5 -0.41 1