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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139363 52518469 1 ON3C26H31 AB3C26D31 10.78 2.29 -8.12 0.18 1
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139364 52518470 1 ON3C26H32 AB3C26D32 25.88 4.0 0.0 0.0 0
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139365 52518588 1 SN3O4C23H37 AB3C4D23E37 -199.21 9.52 -9.08 -0.8 0
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139366 52518646 1 O3N4H18C21 A3B4C18D21 39.35 3.74 -8.9 -0.95 -1
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139367 52518647 1 ClS2N3O3H13C15 AB2C3D3E13F15 35.39 3.42 0.0 0.0 1
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139368 52518648 1 N3O3C21H26 A3B3C21D26 -60.71 9.08 0.0 0.0 0
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139369 52518783 2 ON2C10H14 AB2C10D14 -4.63 7.09 -8.93 -1.09 1
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139370 52518917 1 N4O4C22H25 A4B4C22D25 6.32 5.74 0.0 0.0 0
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139371 52518948 1 S2N3O3C16H19 A2B3C3D16E19 -80.88 6.17 -8.31 -0.4 -1
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139372 52519085 1 FSN3O3H17C19 ABC3D3E17F19 -74.14 3.1 0.0 0.0 0
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139373 52519086 1 ON5C13H19 AB5C13D19 17.3 4.45 -10.38 -1.19 1
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139374 52519155 1 ClSN3O3C17H27 ABC3D3E17F27 -103.37 9.25 0.0 0.0 1
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139375 52519550 1 O2N6C22H27 A2B6C22D27 -6.64 6.06 0.0 0.0 0
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139376 52519805 1 N3O4C19H19 A3B4C19D19 -116.29 3.27 -8.88 -0.57 1
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139377 52519881 1 N2O2C22H33 A2B2C22D33 -63.64 2.58 0.0 0.0 0
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139378 52519977 1 SN2O4C17H26 AB2C4D17E26 -150.66 7.01 -8.95 0.08 0
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139379 52520200 1 BrO2N3C17H24 AB2C3D17E24 -79.54 2.51 -9.15 -0.35 1
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139380 52520400 1 ON5C22H32 AB5C22D32 5.82 9.38 0.0 0.0 0
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139381 52520580 2 ON2C10H14 AB2C10D14 -68.28 8.06 -8.62 0.1 0
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139382 52520581 2 ON2C10H14 AB2C10D14 -71.08 6.69 -8.74 -0.26 1
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139383 52520622 1 O2N3C22H34 A2B3C22D34 -88.26 3.23 0.0 0.0 0
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139384 52520636 1 ClSO2N6C22H23 ABC2D6E22F23 60.05 4.29 -9.22 -0.88 0
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139385 52521052 1 SCl2N2O3C14H14 AB2C2D3E14F14 -50.5 5.81 -8.58 -0.36 0
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139386 52521059 1 FSO2N3C20H20 ABC2D3E20F20 -71.89 4.87 -8.86 -0.52 0
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139387 52521321 1 O3N5C25H31 A3B5C25D31 -66.28 4.01 -8.47 -0.5 0