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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228447 87564535 1 S2O3H10C12 A2B3C10D12 -58.57 6.0 -9.51 -1.45 0
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228448 87564540 1 N3O5C15H23 A3B5C15D23 -175.03 4.2 -10.25 -0.92 1
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228449 87564541 1 N3O5C15H24 A3B5C15D24 -180.52 5.92 0.0 0.0 0
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228451 87564554 1 BrNOC10H12 ABCD10E12 9.96 3.8 -9.69 -0.42 0
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228452 87564559 1 NPO6C9H18 ABC6D9E18 -339.24 2.62 -10.11 0.43 0
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228453 87564561 1 N3O5C17H21 A3B5C17D21 -122.74 6.67 -8.74 -0.99 1
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228454 87564565 1 PSC2O5H6 ABC2D5E6 -225.49 6.62 0.0 0.0 0
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228455 87564566 1 N3O5C17H21 A3B5C17D21 -127.87 11.31 -8.88 -1.0 0
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228456 87564567 1 O5N6C28H30 A5B6C28D30 -127.12 4.59 -8.21 -1.54 0
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228457 87564571 1 FOS2N6H11C18 ABC2D6E11F18 101.45 5.95 -8.76 -1.37 0
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228458 87564578 1 NP2C16H29 AB2C16D29 11.81 2.68 -8.75 1.06 0
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228459 87564583 1 C13O13H20 A13B13C20 -554.08 8.02 -10.18 -0.65 0
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228460 87564595 1 ClO2N3C13H16 AB2C3D13E16 43.8 5.49 -9.21 -0.49 0
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228461 87564597 2 OH12C16 AB12C16 65.31 0.15 -7.74 -1.38 0
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228462 87564601 1 SiO4C7H15 AB4C7D15 -168.7 3.83 0.0 0.0 0
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228463 87564614 1 SO2F3N3H16C21 AB2C3D3E16F21 -140.84 6.14 -8.77 -1.27 0
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228464 87564626 1 FO2S2N6H15C22 AB2C2D6E15F22 82.86 7.85 -8.86 -1.4 0
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228465 87564634 1 SO2N6C19H20 AB2C6D19E20 36.11 3.7 -8.18 -1.53 0
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228466 87564658 1 ON3F6H9C12 AB3C6D9E12 -284.94 5.94 -9.44 -1.34 -6
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228467 87564663 1 FeINOC12H12 ABCDE12F12 180.39 12.18 -6.19 -2.08 0
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228468 87564681 1 BrClFN2O3H15C17 ABCD2E3F15G17 -78.48 2.48 -8.7 -0.92 0
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228469 87564687 1 ClN3O3F5C25H27 AB3C3D5E25F27 -366.21 4.31 -8.58 -1.51 0
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228470 87564689 1 O2N5F8H19C26 A2B5C8D19E26 -300.79 6.52 -8.85 -1.47 0
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228471 87564697 1 BrOF2H11C15 ABC2D11E15 -77.43 1.93 -8.69 -0.61 0
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228472 87564702 1 SiO5C17H36 AB5C17D36 -325.77 2.17 -9.56 0.93 0