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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139663 52576464 1 O2N3C21H23 A2B3C21D23 -9.66 9.9 -8.47 -0.71 1
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139664 52576535 1 SO2F3N4C19H20 AB2C3D4E19F20 -144.14 8.49 0.0 0.0 0
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139665 52576536 1 BrSN3O3C17H18 ABC3D3E17F18 -41.12 7.08 -9.1 -1.05 0
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139666 52576676 1 ClN3O4H18C19 AB3C4D18E19 -53.36 3.91 -9.04 -0.83 0
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139667 52576677 1 F3O3N4H19C21 A3B3C4D19E21 -160.03 3.19 -8.9 -0.94 0
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139668 52576678 1 ClO3N4H19C20 AB3C4D19E20 -5.6 1.95 -8.78 -0.92 0
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139669 52576819 1 ON2C18H30 AB2C18D30 -61.95 3.61 -8.91 0.11 0
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139670 52577181 1 FSO3H13C14 ABC3D13E14 -119.1 2.62 -9.17 -0.84 0
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139671 52577230 1 S2N3O3C16H21 A2B3C3D16E21 -59.92 6.13 -8.62 -0.9 0
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139672 52577312 1 SN2O2H20C23 AB2C2D20E23 3.65 1.4 -8.74 -0.86 0
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139673 52577810 1 FSN3O4C22H22 ABC3D4E22F22 -123.81 5.47 -8.95 -1.34 0
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139674 52577908 1 BrSN2O5C17H21 ABC2D5E17F21 -174.21 9.83 -9.34 -0.74 1
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139675 52577916 1 Cl2N3O3C23H28 A2B3C3D23E28 -82.39 7.58 0.0 0.0 0
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139676 52578165 1 O2F3N5C19H20 A2B3C5D19E20 -186.5 5.79 -8.91 -1.3 0
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139677 52578242 1 Cl2O2N4H22C23 A2B2C4D22E23 -9.23 2.51 -9.36 -0.65 0
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139678 52578923 1 O3N6C25H26 A3B6C25D26 -7.34 5.19 -9.25 -1.02 0
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139679 52579073 1 NO2C14H21 AB2C14D21 -89.33 5.16 -8.67 0.25 1
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139680 52579709 1 N2O3C18H27 A2B3C18D27 -100.62 7.6 0.0 0.0 0
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139681 52579937 1 ClON3C17H26 ABC3D17E26 -37.25 5.47 -8.46 -0.1 0
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139682 52580139 1 ClNF2O2C17H18 ABC2D2E17F18 -144.66 4.54 -8.89 -0.33 1
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139683 52580140 1 BrNF2O2C17H19 ABC2D2E17F19 -118.11 5.38 0.0 0.0 0
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139684 52580427 1 S2N4O4C15H34 A2B4C4D15E34 -192.47 3.3 -9.24 -0.08 0
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139685 52580428 1 NSO4C19H21 ABC4D19E21 -147.64 9.5 -8.52 -0.87 0
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139686 52580429 1 SN2O2C16H26 AB2C2D16E26 -73.14 6.03 -9.07 0.08 0
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139687 52580430 1 SN2O3C23H30 AB2C3D23E30 -101.44 6.91 -9.36 -0.49 0