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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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229423 87567610 4 NOH4C5 ABC4D5 -6.13 6.49 -8.65 -1.73 0
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229424 87567621 1 SF3N4O5C16H21 AB3C4D5E16F21 -316.19 3.94 -9.06 -0.37 0
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229425 87567623 1 CoC3H4O5 AB3C4D5 -185.7 7.03 0.0 0.0 0
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229426 87567624 1 NO2C18H31 AB2C18D31 -125.95 4.95 -9.65 0.47 0
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229427 87567626 1 O5C10H22 A5B10C22 -263.95 3.2 -10.56 0.8 0
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229428 87567629 1 OSN3C12H15 ABC3D12E15 9.95 3.44 -9.03 -0.82 0
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229429 87567631 1 O4N7C28H35 A4B7C28D35 -61.38 2.2 -8.04 -0.76 0
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229430 87567633 1 O5C8H18 A5B8C18 -255.06 5.85 -10.24 0.72 0
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229431 87567635 1 S2Cl4N4O5H12C22 A2B4C4D5E12F22 -79.62 12.1 -9.34 -2.6 0
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229432 87567636 1 ClON3H12C13 ABC3D12E13 31.42 2.18 -9.63 -1.04 0
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229433 87567637 1 S4N6O17C64H70 A4B6C17D64E70 -505.92 8.29 -8.72 -1.14 0
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229434 87567639 1 ClSO2N5C22H24 ABC2D5E22F24 -31.73 6.26 -8.76 -0.79 0
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229435 87567640 1 NOS2C6H9 ABC2D6E9 -42.02 2.71 -8.98 -0.2 0
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229436 87567647 1 FSN3O3C25H30 ABC3D3E25F30 -88.78 4.71 -9.01 -0.13 0
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229437 87567649 1 O7C8H16 A7B8C16 -330.89 7.5 -10.48 0.02 -1
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229438 87567651 1 N11O16C78H124 A11B16C78D124 -761.36 6.76 0.0 0.0 0
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229439 87567655 1 SN3O6C26H39 AB3C6D26E39 -240.01 3.62 -8.73 -0.57 0
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229440 87567663 1 PSF2N3O6C36H44 ABC2D3E6F36G44 -354.61 5.21 -8.97 -1.08 0
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229441 87567673 1 BrPO6C12H16 ABC6D12E16 -287.41 4.39 -9.1 -0.67 0
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229442 87567675 1 N2O5C7H14 A2B5C7D14 -183.88 6.54 -9.8 -0.54 0
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229443 87567676 1 ClFSN3O4C21H21 ABCD3E4F21G21 -151.9 6.6 -9.2 -1.1 0
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229444 87567677 1 N11O14C62H113 A11B14C62D113 -757.58 7.26 -9.24 0.2 0
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229445 87567678 1 SN3O4F6H17C20 AB3C4D6E17F20 -434.81 4.08 -9.9 -1.41 0
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229446 87567680 1 FSO3N5C20H22 ABC3D5E20F22 -33.43 4.38 -9.19 -1.28 0
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229447 87567682 1 SN5O5H21C22 AB5C5D21E22 -70.61 6.52 -9.28 -1.15 0