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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84847 49870316 1 O4C37H56 A4B37C56 -89.42 5.75 -9.45 -0.04 0
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84848 49870320 1 NO5C28H33 AB5C28D33 -160.44 7.88 -9.62 -0.77 0
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84849 49870321 2 NO2C15H19 AB2C15D19 -117.32 1.93 -9.24 -0.47 0
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84850 49870323 1 FO2N3H24C25 AB2C3D24E25 -47.71 2.56 -8.06 -0.42 0
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84851 49870326 1 O2F3N5H22C24 A2B3C5D22E24 -127.29 7.23 -8.2 -1.34 0
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84852 49870328 1 O2F3N4H23C26 A2B3C4D23E26 -162.18 3.81 -8.6 -1.36 0
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84853 49870333 1 F2O2N9C22H23 A2B2C9D22E23 -33.61 4.97 -8.52 -0.85 0
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84854 49870334 1 O3N5C29H37 A3B5C29D37 -65.31 6.15 -8.45 -0.55 0
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84855 49870340 1 SF3O3N4C23H25 AB3C3D4E23F25 -205.16 9.16 -9.8 -1.11 0
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84856 49870342 1 SO3N5C21H25 AB3C5D21E25 -48.67 9.06 -9.54 -0.89 0
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84857 49870353 1 O3N7H21C24 A3B7C21D24 40.78 6.82 -9.19 -1.4 0
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84858 49870355 2 ON3H10C11 AB3C10D11 47.32 11.83 -9.27 -1.41 0
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84859 49870357 1 O4N5C18H19 A4B5C18D19 9.03 7.54 -9.07 -1.58 0
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84860 49870360 1 O3N6C18H20 A3B6C18D20 49.61 7.45 -8.93 -1.49 0
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84861 49870361 1 ClO2N5C17H18 AB2C5D17E18 82.04 5.02 -8.66 -1.44 0
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84862 49870362 1 O2N5C23H23 A2B5C23D23 113.56 4.94 -8.56 -1.35 0
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84863 49870369 1 BrNO2F3C35H49 ABC2D3E35F49 -261.27 3.06 -8.42 -0.64 0
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84864 49870371 1 BrNF2O2C33H46 ABC2D2E33F46 -180.92 2.22 -8.26 -0.36 1
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84865 49870372 1 NF2O2C33H46 AB2C2D33E46 -165.96 2.0 0.0 0.0 0
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84867 49870414 1 BrO6H17C18 AB6C17D18 -180.72 6.47 -8.44 -0.9 0
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84868 49870442 1 NO7C33H47 AB7C33D47 -284.09 7.8 -8.92 -0.56 0
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84869 49870443 1 O6C27H46 A6B27C46 -294.8 5.88 -9.03 -0.28 0
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84870 49870447 1 N2O14C77H138 A2B14C77D138 -626.47 8.57 -9.33 0.62 0
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84871 49870448 1 NO4C29H35 AB4C29D35 -123.16 5.12 -9.37 -0.5 0
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84872 49870450 1 NO5C29H35 AB5C29D35 -162.39 5.48 -9.43 -0.56 0