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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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297398 117616837 1 SN2O5C9H12 AB2C5D9E12 -224.18 3.65 -9.64 -1.03 0
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297399 117616853 1 ClFO4N5H33C36 ABC4D5E33F36 -96.18 6.53 -8.64 -1.0 1
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297400 117616891 1 N3O4C24H24 A3B4C24D24 -67.22 4.5 0.0 0.0 0
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297401 117616897 1 NOSC8H11 ABCD8E11 -21.98 1.48 -8.64 -1.08 0
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297402 117616912 1 O2N3H31C34 A2B3C31D34 25.63 5.38 -8.42 -0.58 0
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297403 117616928 1 ClFO2N6C24H26 ABC2D6E24F26 -26.54 10.75 -9.88 -1.67 0
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297404 117616938 1 SN2O3H18C21 AB2C3D18E21 -5.68 1.99 -8.8 -0.83 0
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297405 117616940 1 SN2O3C25H26 AB2C3D25E26 -58.0 1.19 -8.64 -0.81 0
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297406 117616941 1 SN2O3C23H24 AB2C3D23E24 -51.69 1.3 -8.65 -0.79 0
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297407 117616955 1 ClO2N8C30H37 AB2C8D30E37 38.37 11.69 -8.62 -1.63 0
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297408 117616957 1 ClO2N6C29H35 AB2C6D29E35 4.49 11.95 -9.39 -1.44 0
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297409 117616992 1 NSC9H11 ABC9D11 27.18 3.59 -8.29 -0.14 0
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297410 117616999 1 NC11H13 AB11C13 41.26 2.01 -8.79 0.33 0
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297411 117617000 2 NC5H6 AB5C6 51.97 3.78 -9.44 -0.14 0
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297412 117617011 1 SN2O3H20C21 AB2C3D20E21 -32.94 1.54 -8.89 -0.79 0
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297413 117617013 1 SN2O3H20C21 AB2C3D20E21 -40.23 2.35 -8.72 -0.78 0
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297414 117617015 1 SN2O3H16C20 AB2C3D16E20 3.89 0.78 -8.89 -0.96 0
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297415 117617033 1 PF2N6O9C33H39 AB2C6D9E33F39 -420.09 3.18 -8.61 -0.94 0
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297416 117617054 1 NO4C14H25 AB4C14D25 -209.31 3.38 -10.01 0.51 0
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297417 117617061 1 PN6O9C30H37 AB6C9D30E37 -221.29 7.09 -8.05 -0.76 0
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297418 117617095 1 FPN3O9C25H33 ABC3D9E25F33 -465.5 1.91 -9.53 -0.58 0
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297419 117617097 1 FPN3O10C28H35 ABC3D10E28F35 -405.21 4.07 -9.11 -1.01 0
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297420 117617108 1 PN7O8C50H52 AB7C8D50E52 -158.76 8.82 -8.46 -0.38 0
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297421 117617148 1 NO2C14H19 AB2C14D19 -44.84 2.5 -8.91 0.04 0
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297422 117617181 1 NO2C20H25 AB2C20D25 -41.06 3.39 -8.34 0.18 0