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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84670 49869240 1 OF5N8H15C21 AB5C8D15E21 -115.88 5.9 -9.57 -1.93 0
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84671 49869251 1 O3N5H15C16 A3B5C15D16 99.4 3.46 -8.88 -1.51 1
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84672 49869263 1 NCl2O3C36H54 AB2C3D36E54 -155.55 6.15 0.0 0.0 0
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84674 49869265 1 ClN2O3C35H54 AB2C3D35E54 -129.7 3.66 0.0 0.0 0
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84675 49869272 1 S3N5O6C26H27 A3B5C6D26E27 -143.33 2.08 -8.95 -1.28 0
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84676 49869287 1 N7O7C44H53 A7B7C44D53 -239.85 7.65 -8.76 -0.45 0
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84677 49869288 1 ClN2O2C17H21 AB2C2D17E21 -71.45 4.99 -8.68 -0.5 0
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84678 49869289 1 OSN2C15H20 ABC2D15E20 -24.45 4.25 -8.65 -0.29 0
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84679 49869290 1 FON2C17H21 ABC2D17E21 -78.95 4.0 -8.78 -0.29 0
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84680 49869291 2 NOC7H9 ABC7D9 -51.14 4.51 -8.71 -0.23 0
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84681 49869294 1 FON3C21H24 ABC3D21E24 -29.07 3.48 -8.19 -0.37 0
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84682 49869299 1 SO7N8C34H50 AB7C8D34E50 -250.3 11.85 -9.61 -0.94 0
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84683 49869300 1 SO5N6C27H44 AB5C6D27E44 -208.95 7.48 -9.39 -0.52 0
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84684 49869302 1 SO3N4H24C25 AB3C4D24E25 -19.69 5.1 -8.0 -1.33 0
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84685 49869303 1 SN3O4C23H25 AB3C4D23E25 -82.94 7.03 -8.12 -0.44 0
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84686 49869304 1 SO3N4H22C23 AB3C4D22E23 -12.77 5.17 -8.08 -1.46 0
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84687 49869306 2 ON2H12C13 AB2C12D13 18.95 5.14 -8.2 -1.01 0
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84688 49869307 1 N4O13C45H78 A4B13C45D78 -596.26 4.08 -8.7 -0.25 0
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84689 49869313 1 N4H20C21 A4B20C21 161.12 2.44 -8.98 -0.39 0
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84690 49869314 1 BrON4H15C16 ABC4D15E16 44.12 7.11 -8.81 -0.55 0
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84691 49869315 1 ClON5H22C23 ABC5D22E23 59.64 5.79 -8.64 -0.68 0
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84692 49869323 1 ClFON3C22H23 ABCD3E22F23 -44.02 2.19 -8.2 -0.23 0
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84693 49869339 1 ClNPSO6C26H31 ABCDE6F26G31 -284.97 2.45 -8.69 -0.73 0
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84694 49869340 1 ClNPSO6C24H27 ABCDE6F24G27 -275.72 3.3 -8.59 -0.65 0
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84695 49869341 1 ClNPSF3O5C20H22 ABCDE3F5G20H22 -410.06 3.73 -9.14 -0.93 0