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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396787 135029223 1 FO3H13C17 AB3C13D17 -101.46 1.48 -9.21 -0.63 0
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396788 135029225 1 H21C23 A21B23 98.15 0.46 0.0 0.0 1
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396789 135029226 1 H21C23 A21B23 98.22 0.47 0.0 0.0 1
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396790 135029227 1 NH23C28 AB23C28 156.06 1.7 -8.27 -0.37 0
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396791 135029228 1 NO2H22C28 AB2C22D28 131.99 1.78 0.0 0.0 0
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396792 135029229 1 O2C17H18 A2B17C18 -49.31 3.94 -8.74 -0.03 0
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396793 135029231 1 BrOC13H13 ABC13D13 25.02 3.77 -9.81 -1.04 0
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396794 135029232 1 N2H12C15 A2B12C15 95.13 2.81 -7.8 -0.68 1
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396795 135029233 1 N2H13C15 A2B13C15 82.8 1.41 0.0 0.0 0
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396796 135029234 1 O2N3H27C29 A2B3C27D29 0.03 3.08 -8.16 -0.85 0
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396797 135029235 1 ClNOH24C30 ABCD24E30 52.91 0.79 -8.44 -0.12 0
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396798 135029236 1 NOC29H31 ABC29D31 11.77 1.51 -8.31 0.05 0
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396800 135029239 1 SiO2C15H22 AB2C15D22 -107.5 1.35 -8.71 -0.42 0
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396801 135029240 1 OH18C22 AB18C22 34.37 1.84 -8.84 -0.42 1
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396802 135029241 1 CuOC5H8 ABC5D8 33.68 0.76 0.0 0.0 0
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396803 135029242 1 NO2H11C15 AB2C11D15 4.98 3.95 -9.79 -1.18 0
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396805 135029246 1 O3C17H26 A3B17C26 -130.75 4.73 -9.98 -0.43 0
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396806 135029251 1 PN6O7C8H15 AB6C7D8E15 -304.38 3.48 -9.81 -0.22 1
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396807 135029255 1 NO3C7H14 AB3C7D14 -116.02 3.87 0.0 0.0 0
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396808 135029257 1 O5H12C17 A5B12C17 -77.48 5.7 -9.77 -0.93 0
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396809 135029260 1 O3H16C22 A3B16C22 -25.72 4.95 -9.34 -1.02 0
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396810 135029261 1 BrO3H11C16 AB3C11D16 -45.19 5.58 -9.68 -1.35 0
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396811 135029263 1 SO3H12C18 AB3C12D18 -31.06 4.02 -8.71 -1.25 0
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396812 135029266 1 PO5C13H19 AB5C13D19 -268.16 2.15 -9.29 0.03 0
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396813 135029267 1 NSBr2O2C16H19 ABC2D2E16F19 -80.45 7.56 -9.41 -0.6 0
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396814 135029268 1 NSBr2O2C15H19 ABC2D2E15F19 -85.02 6.36 -9.57 -0.5 0
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396815 135029271 1 NOH23C29 ABC23D29 83.02 0.92 -8.25 -0.49 0
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396816 135029272 1 NSO2C17H21 ABC2D17E21 -52.06 6.93 -8.24 -0.36 0
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396817 135029273 1 PH13C18 AB13C18 73.16 1.48 -8.25 -0.73 0
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396818 135029274 1 OPH13C18 ABC13D18 14.34 5.58 -9.09 -1.11 0
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396819 135029275 1 OC18H22 AB18C22 -24.05 1.62 -9.38 0.19 0
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396820 135029276 2 SO2C31H40 AB2C31D40 -113.9 3.96 -8.25 -2.08 -1
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396821 135029277 2 SO3C46H60 AB3C46D60 -183.97 4.19 -8.65 -2.19 -4
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396822 135029279 2 SO3C46H60 AB3C46D60 -170.1 4.55 -8.49 -2.41 0
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396823 135029280 2 SO3C46H62 AB3C46D62 -302.17 5.82 -8.19 -1.62 0
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396824 135029281 2 OH14C30 AB14C30 331.98 6.14 -8.63 -1.29 0
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396825 135029282 1 O5H16C17 A5B16C17 -159.69 4.85 -9.77 -0.84 0
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396826 135029283 1 NSO2C9H11 ABC2D9E11 -10.33 6.49 -10.08 0.18 0
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396827 135029285 1 SO2N4C18H22 AB2C4D18E22 44.03 7.06 -8.96 -0.53 0
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396829 135029287 1 SO2N4C20H20 AB2C4D20E20 79.09 6.85 -9.06 -0.57 0
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396831 135029289 1 O3H14C18 A3B14C18 -57.78 1.23 -9.02 -1.01 0
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396832 135029290 1 SO4C10H14 AB4C10D14 -148.27 4.54 -10.32 -1.42 0
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396833 135029291 1 O3C36H40 A3B36C40 -86.6 3.22 -8.32 -0.93 0
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396834 135029292 1 NF3O3C10H14 AB3C3D10E14 -288.31 3.68 -9.94 0.12 0
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396835 135029295 1 NO4C20H23 AB4C20D23 -117.78 2.37 -8.08 0.22 0
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396836 135029298 1 NO3C19H21 AB3C19D21 -77.88 2.54 -8.18 0.21 0
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396837 135029300 1 ClNSO3H12C15 ABCD3E12F15 -14.35 5.65 -9.18 -0.88 0
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396838 135029301 1 ClNSO3H12C15 ABCD3E12F15 -15.34 5.23 -9.24 -0.99 0
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396839 135029302 1 BrNSO3H12C15 ABCD3E12F15 -2.76 5.38 -9.18 -0.93 0
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396840 135029303 1 FNSO3H12C15 ABCD3E12F15 -52.67 5.28 -9.16 -0.8 0