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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139638 52573504 1 ClNO3C22H26 ABC3D22E26 -91.25 6.07 -9.02 -0.51 0
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139639 52573505 1 NOSC22H27 ABCD22E27 -12.78 5.72 -8.66 -0.25 0
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139640 52573734 1 ClSN2O5C20H23 ABC2D5E20F23 -167.79 0.59 -8.77 -1.01 0
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139641 52574010 1 N3O3C18H25 A3B3C18D25 -78.23 6.31 -9.07 -1.07 0
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139642 52574107 1 ON2C20H22 AB2C20D22 11.57 5.68 -9.51 -0.71 0
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139643 52574181 1 NO3C17H25 AB3C17D25 -127.26 5.65 -8.95 0.06 0
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139644 52574279 1 NO2C23H27 AB2C23D27 -38.78 4.72 -8.68 0.24 0
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139645 52574385 1 OSN2C16H20 ABC2D16E20 -22.69 4.04 -8.96 -0.58 0
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139646 52574724 1 FNOC14H18 ABCD14E18 -71.29 3.92 -9.3 -0.56 0
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139647 52574725 1 FNOC14H18 ABCD14E18 -70.89 3.8 -9.3 -0.22 0
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139648 52574726 1 ClOSN3C18H20 ABCD3E18F20 24.22 2.38 -8.57 -0.77 0
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139649 52574727 1 ClOSN3C18H20 ABCD3E18F20 24.28 2.52 -8.59 -0.78 0
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139650 52574728 1 NO2C14H21 AB2C14D21 -81.15 3.94 -8.88 0.18 0
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139651 52574729 1 NO2C14H21 AB2C14D21 -79.4 5.0 -8.55 0.57 0
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139652 52574835 1 NOSC14H21 ABCD14E21 -41.44 4.84 -8.65 -0.21 0
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139653 52574836 1 OSN2C11H18 ABC2D11E18 -44.6 4.46 -9.2 -0.67 0
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139654 52574913 1 ON3C13H29 AB3C13D29 -90.89 3.18 -8.83 1.44 0
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139655 52575140 1 O2S2N6H18C19 A2B2C6D18E19 7.71 7.43 -9.15 -1.73 0
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139656 52575514 1 BrON2C19H23 ABC2D19E23 -16.51 3.04 -9.33 -0.26 0
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139657 52575515 1 BrON2C19H23 ABC2D19E23 -17.43 4.14 -9.12 -0.3 1
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139658 52576023 1 SN3O3C13H24 AB3C3D13E24 -73.83 2.01 0.0 0.0 0
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139659 52576100 1 SN2O4C17H26 AB2C4D17E26 -166.21 4.67 -9.42 -0.19 0
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139660 52576101 1 SN2O4C17H26 AB2C4D17E26 -167.23 3.6 -9.28 -0.11 0
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139661 52576202 1 N3O4H25C26 A3B4C25D26 -37.48 3.54 -8.89 -1.3 0
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139662 52576349 2 ClFNOC10H10 ABCDE10F10 -175.68 3.82 -9.98 -1.11 0