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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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6559 68876 1 ClNO5C20H26 ABC5D20E26 -201.41 7.5 -8.57 -1.04 0
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6560 68879 1 O4H14C17 A4B14C17 -125.98 7.27 -9.46 -1.2 0
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6561 68880 1 SN3O4C16H25 AB3C4D16E25 -154.17 8.67 -8.93 -0.73 0
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6562 68883 1 ClN2O2C24H37 AB2C2D24E37 -114.65 4.69 -8.62 0.0 0
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6563 68886 1 BrN2O5C11H13 AB2C5D11E13 -196.48 6.01 -9.33 -1.04 0
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6564 68894 1 ClN2O3C19H21 AB2C3D19E21 -72.07 7.47 -9.24 -0.76 0
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6565 68896 2 NOC9H10 ABC9D10 -26.46 4.39 -8.23 -0.54 0
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6566 68897 1 N2O12C33H40 A2B12C33D40 -479.63 9.89 -9.03 -1.9 0
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6567 68898 1 ClN4O5C19H21 AB4C5D19E21 -166.05 6.81 -9.12 -0.67 0
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6568 68899 1 ON2C14H16 AB2C14D16 20.12 2.54 -8.92 -0.24 0
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6569 68900 1 ON2C21H28 AB2C21D28 -21.2 4.06 -8.86 -0.16 0
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6570 68908 1 NO4C9H11 AB4C9D11 -157.71 4.0 -9.35 -0.52 0
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6571 68911 1 O5C16H26 A5B16C26 -174.58 2.91 -8.91 0.38 0
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6572 68912 2 NOC9H14 ABC9D14 -98.77 3.19 -8.47 0.38 0
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6573 68944 1 N3O3C7H11 A3B3C7D11 -32.7 5.86 -10.02 -1.12 0
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6574 68954 1 ON2C19H26 AB2C19D26 -19.4 3.55 -8.84 -0.55 0
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6575 68984 1 CClBr3 ABC3 19.92 0.1 -10.92 -2.09 0
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6576 68986 1 NC5H13 AB5C13 -29.36 1.77 -9.22 3.65 0
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6577 69017 1 O4C5H6 A4B5C6 -157.24 3.78 -11.36 -0.46 0
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6578 69018 1 BrOC3H5 ABC3D5 -48.59 3.47 -10.72 -0.74 0
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6579 69020 1 OC2N2H6 AB2C2D6 -46.0 3.58 -10.1 1.06 0
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6580 69024 1 SO4C6N6H20 AB4C6D6E20 -160.92 10.48 -9.14 -0.22 0
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6581 69051 1 NO2C9H11 AB2C9D11 -12.96 5.24 -9.88 -0.78 0
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6582 69055 4 H4C5 A4B5 60.67 1.71 -8.1 -0.74 0
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6583 69063 1 NC12H14 AB12C14 28.62 1.57 0.0 0.0 1
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6584 69068 1 O4C9H10 A4B9C10 -107.65 1.71 -8.81 -1.9 0
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6585 69070 1 N3O4H5C6 A3B4C5D6 4.89 2.15 -10.05 -2.02 0
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6586 69071 1 N3O3C7H7 A3B3C7D7 10.61 2.55 -9.48 -0.86 0
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6587 69076 1 INC12H14 ABC12D14 34.24 4.7 -8.1 -0.88 0
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6588 69080 1 NH17C19 AB17C19 78.59 0.91 -8.18 0.13 0
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6589 69099 3 NC2H3 AB2C3 21.35 1.45 -8.29 0.47 0
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6590 69110 1 OCl2H4C7 AB2C4D7 -29.41 4.77 -10.16 -1.33 0
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6591 69114 1 NO3H5C6 AB3C5D6 -108.25 8.36 -10.18 -1.51 0
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6592 69116 1 NI2O2H5C7 AB2C2D5E7 -31.59 2.93 -9.17 -1.5 0
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6593 69153 2 OC4H5 AB4C5 -69.9 3.66 -9.72 -0.07 0
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6594 69159 1 N3O4H9C12 A3B4C9D12 35.09 5.44 -9.47 -1.89 0
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6595 69160 1 O3N4C6H6 A3B4C6D6 -102.71 1.86 -9.07 -0.91 0
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6596 69162 1 N2O3C9H10 A2B3C9D10 -45.52 2.18 -9.31 -1.42 0
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6597 69178 1 NBr3H6C10 AB3C6D10 57.62 3.78 -9.63 -1.46 0
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6598 69184 2 OC4H4 AB4C4 -63.32 4.02 -9.1 -0.91 0
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6599 69188 1 NO2C8H9 AB2C8D9 -58.77 0.45 -10.53 -0.99 0
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6600 69202 2 O2H4C5 A2B4C5 -91.55 2.16 -9.51 -0.71 0
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6601 69207 1 OSN3C4H5 ABC3D4E5 16.52 5.77 -9.82 -1.06 0
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6602 69209 2 O2C4H7 A2B4C7 -191.46 2.72 -10.55 0.04 0
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6603 69210 2 NOC3H6 ABC3D6 -98.85 0.94 -9.96 -0.06 0
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6604 69211 2 OC4H5 AB4C5 -81.3 0.1 -8.32 0.06 0
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6605 69212 1 O3H6C7 A3B6C7 -80.43 6.44 -9.75 -1.82 0
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6606 69218 2 ClC2H4 AB2C4 -41.77 2.37 -10.62 0.71 0
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6607 69219 1 ClOC4H7 ABC4D7 -60.75 1.4 -10.34 0.27 0
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6608 69224 1 OC15H24 AB15C24 -75.36 1.42 -8.46 0.51 0