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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227413 87561713 1 SO3N6C22H24 AB3C6D22E24 -14.68 4.14 -9.13 -1.1 0
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227414 87561714 1 AsO2N6C24H25 AB2C6D24E25 83.38 4.25 -8.48 -1.23 0
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227415 87561715 1 AsO2N6C24H25 AB2C6D24E25 93.54 4.3 -8.48 -1.23 0
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227417 87561718 1 OSCl2N3C12H13 ABC2D3E12F13 6.16 5.98 -8.85 -0.89 0
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227418 87561720 1 Cl2N3O3H6F9C18 A2B3C3D6E9F18 -424.9 5.47 -10.18 -2.37 0
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227419 87561723 1 BrNOC7H18 ABCD7E18 -73.03 11.45 -7.86 -0.25 0
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227420 87561724 1 SiO2C24H32 AB2C24D32 -65.57 2.74 -8.99 0.13 0
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227421 87561725 1 SiO2C24H32 AB2C24D32 -65.6 2.66 -8.99 0.13 0
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227423 87561729 1 OSN2C19H26 ABC2D19E26 27.56 3.36 -8.63 -0.6 0
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227424 87561733 1 ClSN2C13H15 ABC2D13E15 17.47 6.81 -8.52 -0.7 0
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227425 87561734 1 NO5C9H15 AB5C9D15 -216.61 3.47 -10.53 -0.21 0
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227426 87561736 1 BrPO2H20C21 ABC2D20E21 -34.98 13.09 -7.6 -1.23 1
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227427 87561737 1 PO2H20C21 AB2C20D21 -28.57 5.63 0.0 0.0 0
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227428 87561738 1 ClNNaSH3O3C4 ABCDE3F3G4 -140.75 13.81 -9.48 -0.18 0
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227429 87561739 1 ClNNaSO3C4H4 ABCDE3F4G4 -151.92 7.47 0.0 0.0 0
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227430 87561740 1 ClF2O2N6C24H29 AB2C2D6E24F29 -103.33 1.11 -8.33 -0.6 0
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227431 87561743 1 IN2O2H7C9 AB2C2D7E9 -3.97 4.13 -9.66 -2.32 0
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227432 87561746 1 SCl2N2O3C16H16 AB2C2D3E16F16 -85.15 6.25 -8.95 -1.13 0
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227433 87561747 1 ClN3O3C11H16 AB3C3D11E16 -127.63 4.05 -10.13 -1.06 0
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227434 87561749 1 OSCl2N3H9C13 ABC2D3E9F13 21.79 6.77 -8.9 -1.39 0
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227435 87561751 1 SN3O3C9H15 AB3C3D9E15 -157.68 2.02 -9.57 -0.9 0
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227436 87561752 2 NO2H7C8 AB2C7D8 -88.37 3.68 -9.28 -1.27 0
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227437 87561753 1 O3C4H10 A3B4C10 -86.58 3.05 -10.1 0.11 0
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227438 87561754 1 F3N3O3C15H16 A3B3C3D15E16 -187.11 2.98 -9.3 -0.92 0
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227439 87561756 1 SO5C11H14 AB5C11D14 -176.79 3.9 -9.23 -0.59 0
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227440 87561757 1 SO5C11H14 AB5C11D14 -190.6 4.13 -9.32 -0.6 0
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227441 87561760 1 SO3F4C9H12 AB3C4D9E12 -327.42 2.48 -11.07 -1.08 0
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227442 87561761 1 S2O3F4H26C27 A2B3C4D26E27 -235.59 8.73 -8.8 -0.67 0
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227443 87561762 1 NCl2O5F6H21C27 AB2C5D6E21F27 -466.68 6.05 -8.78 -1.66 0
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227444 87561763 1 ClN2O3C7H7 AB2C3D7E7 -112.82 4.54 -9.14 -0.85 0
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227445 87561765 1 O5C27H44 A5B27C44 -204.37 4.05 -9.38 0.19 0
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227446 87561768 1 O3C21H38 A3B21C38 -163.54 1.83 -9.58 0.79 0
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227447 87561775 1 ClKSN2H3O3C4 ABCD2E3F3G4 -142.97 8.63 0.0 0.0 0
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227448 87561776 2 O2C6H9 A2B6C9 -148.53 4.72 -10.3 -0.6 0
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227449 87561777 1 O4C13H22 A4B13C22 -132.28 1.69 -9.72 1.68 0
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227450 87561779 1 IN3O5C15H16 AB3C5D15E16 -50.04 6.29 -9.48 -1.86 0
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227451 87561780 1 NP2S2C36H77 AB2C2D36E77 -285.13 5.26 -8.77 0.21 0
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227452 87561781 1 BrO3C10H11 AB3C10D11 -91.28 2.04 -9.44 -0.44 0
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227453 87561782 2 O5C11H21 A5B11C21 -435.11 2.16 -10.76 -1.41 0
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227454 87561785 2 NOC3H7 ABC3D7 -107.66 2.35 -9.14 0.97 0
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227455 87561786 1 BrO3N5C6H6 AB3C5D6E6 41.44 6.15 -9.88 -1.65 0
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227456 87561787 1 ClN4C7H9 AB4C7D9 71.21 3.73 -9.31 -1.12 0
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227457 87561788 1 ClO2N4C17H19 AB2C4D17E19 -40.45 3.35 -9.47 -0.52 0
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227458 87561789 1 P2C17H22 A2B17C22 22.01 1.08 -8.35 0.13 0
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227459 87561790 1 OSiC27H37 ABC27D37 -10.84 1.62 0.0 0.0 0
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227460 87561791 1 NO5C14H19 AB5C14D19 -153.78 2.21 -10.12 -1.11 0
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227461 87561794 1 FNO3C14H18 ABC3D14E18 -124.17 1.64 -9.86 -0.54 0
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227462 87561799 1 O5C22H30 A5B22C30 -117.18 3.28 -9.06 0.68 0
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227463 87561802 1 N2O4C13H16 A2B4C13D16 -73.16 6.46 -9.92 -0.83 0
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227464 87561805 1 ClSF2N3O3C27H28 ABC2D3E3F27G28 -187.82 3.61 -8.78 -0.95 0