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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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136637 52076451 1 ClOSN4C30H38 ABCD4E30F38 3.53 6.25 0.0 0.0 0
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136638 52076452 1 ClOSN4C30H37 ABCD4E30F37 -1.1 5.38 -8.77 -1.23 0
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136639 52076504 1 ClFOSN4C23H24 ABCDE4F23G24 -13.13 4.22 -8.98 -1.39 1
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136640 52076521 1 FOSCl2N4C24H24 ABCD2E4F24G24 -8.92 8.74 0.0 0.0 1
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136641 52077185 1 ClSO3N5C21H31 ABC3D5E21F31 -65.54 27.48 0.0 0.0 0
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136642 52077272 1 SCl2O3N4C22H22 AB2C3D4E22F22 -39.47 6.22 -9.3 -1.79 0
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136643 52077366 1 ClSO3N4C26H29 ABC3D4E26F29 -52.44 6.63 -9.17 -1.62 1
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136644 52077367 1 ClSO3N4C26H30 ABC3D4E26F30 -47.73 26.13 0.0 0.0 0
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136645 52077368 1 ClSO3N4C26H29 ABC3D4E26F29 -53.76 5.85 -9.14 -1.61 0
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136646 52077496 1 F2N3O3H17C18 A2B3C3D17E18 -89.88 1.61 -9.11 -1.38 0
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136647 52078303 1 FS2N3O5C23H28 AB2C3D5E23F28 -213.77 11.36 -9.64 -0.28 0
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136648 52078663 1 ClSN4O4C24H31 ABC4D4E24F31 -127.0 7.86 -8.98 -0.14 1
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136649 52078758 1 S2O3N4C23H33 A2B3C4D23E33 -82.38 5.11 0.0 0.0 0
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136650 52078799 1 S2N3O3C23H25 A2B3C3D23E25 -44.17 4.09 -8.6 -0.02 0
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136651 52078800 1 SN3O4C26H35 AB3C4D26E35 -138.45 5.22 -8.84 0.17 0
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136652 52078912 1 S2N4O5C24H26 A2B4C5D24E26 -111.27 8.58 -8.28 -0.58 0
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136653 52078913 1 S2N4O5C24H26 A2B4C5D24E26 -110.97 3.29 -8.38 -0.71 0
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136654 52078914 1 ClSO2N4C17H17 ABC2D4E17F17 39.63 1.65 -8.95 -1.2 0
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136655 52078915 1 ClSO2N4C18H19 ABC2D4E18F19 28.52 2.3 -8.93 -1.02 0
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136656 52078916 1 SCl2O2N4H16C17 AB2C2D4E16F17 30.22 0.98 -9.15 -1.43 0
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136657 52078917 1 SCl2O2N4H16C17 AB2C2D4E16F17 33.62 2.41 -9.01 -1.39 0
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136658 52079320 1 NSO4C21H23 ABC4D21E23 -129.89 7.65 -8.99 -0.57 0
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136659 52080236 1 SO3N7H11C17 AB3C7D11E17 135.4 10.74 -9.34 -1.97 0
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136660 52080675 1 FSO2N3C20H20 ABC2D3E20F20 -53.17 3.22 -8.62 -0.95 0
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136661 52080949 1 FSN3O3H18C22 ABC3D3E18F22 -49.57 5.36 -8.61 -0.99 0