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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139463 52535789 1 SN3O3C19H25 AB3C3D19E25 -122.69 3.41 -9.11 -1.41 0
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139464 52536013 1 ClN2O2C18H23 AB2C2D18E23 -80.05 4.71 -9.09 -0.63 0
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139465 52536086 1 NOC20H25 ABC20D25 -9.95 1.86 -8.61 0.37 0
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139466 52536140 1 FSO2N3C20H20 ABC2D3E20F20 -36.1 5.75 -9.26 -0.86 0
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139467 52536808 1 ON4C15H16 AB4C15D16 59.05 4.01 -9.51 -0.55 0
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139468 52537356 1 O2N5C20H27 A2B5C20D27 -36.82 4.43 -9.44 -0.93 0
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139469 52537550 1 ClFN3O3H19C22 ABC3D3E19F22 -97.42 2.24 -9.06 -1.01 0
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139470 52537758 1 O2N3H17C18 A2B3C17D18 48.93 2.91 -9.51 -0.29 1
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139471 52538127 1 BrON2C20H30 ABC2D20E30 1.11 22.03 0.0 0.0 0
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139472 52538195 1 N3O3C21H25 A3B3C21D25 -103.18 5.92 -8.86 -0.46 0
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139473 52538429 1 O2N3C21H31 A2B3C21D31 -90.32 6.74 -8.62 0.3 1
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139474 52538578 1 ClON3C25H33 ABC3D25E33 -4.47 5.56 0.0 0.0 0
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139475 52538579 1 ClON3C25H32 ABC3D25E32 -21.86 4.23 -8.72 0.04 1
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139476 52538580 1 ClON3C25H33 ABC3D25E33 -3.16 3.22 0.0 0.0 0
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139477 52539012 2 ON2C12H17 AB2C12D17 -47.72 4.66 -8.61 0.13 0
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139478 52539396 1 F3N3C16H18 A3B3C16D18 -115.9 3.8 -8.96 -0.66 0
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139479 52539397 1 F3N3C16H18 A3B3C16D18 -115.85 3.91 -9.01 -0.69 1
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139480 52539398 1 ClN2O2C18H26 AB2C2D18E26 -34.52 2.78 0.0 0.0 1
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139481 52539628 1 NO4C21H28 AB4C21D28 -113.79 2.69 0.0 0.0 0
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139482 52539644 1 Cl2N3O3C12H15 A2B3C3D12E15 -121.29 4.36 -9.28 -0.46 0
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139483 52540000 1 NO2C13H13 AB2C13D13 -5.92 3.8 -8.49 -0.97 1
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139484 52540152 1 ClSN3O3C20H27 ABC3D3E20F27 -66.32 11.44 0.0 0.0 1
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139485 52540429 1 OF3N3C16H25 AB3C3D16E25 -170.51 3.31 0.0 0.0 0
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139486 52540540 1 ClSF2N2O4H13C21 ABC2D2E4F13G21 -158.96 5.27 -9.1 -1.15 -1
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139487 52540784 1 N3O4H24C25 A3B4C24D25 -39.53 4.18 0.0 0.0 0