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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225537 85852804 5 FH5C6 AB5C6 -179.16 2.77 -9.39 -0.91 0
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225538 85852806 1 BrNO2C14H26 ABC2D14E26 -127.49 2.22 -9.52 -0.02 0
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225539 85852809 5 FH5C6 AB5C6 -176.02 4.11 -9.38 -0.74 0
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225540 85852825 1 SN4C14H18 AB4C14D18 68.61 1.35 -8.73 0.06 0
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225541 85852832 5 FH5C6 AB5C6 -180.56 5.16 -9.52 -0.81 0
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225542 85852839 3 FH9C10 AB9C10 -85.98 2.64 -9.14 -0.52 0
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225543 85852842 2 FH14C15 AB14C15 -37.14 1.02 -8.7 -0.65 0
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225544 85852844 3 BrO2H3C4 AB2C3D4 -204.14 1.93 -10.63 -1.75 0
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225545 85852846 3 FH9C10 AB9C10 -86.9 2.21 -9.17 -0.51 0
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225546 85852850 1 ClNO2H8C11 ABC2D8E11 -12.03 8.4 -9.22 -0.76 0
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225547 85852853 6 OC8H12 AB8C12 -235.32 2.09 -9.62 -0.93 0
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225548 85852858 1 ClOH3F4C8 ABC3D4E8 -200.07 2.69 -10.33 -1.57 0
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225549 85852867 1 N4O4H10C13 A4B4C10D13 81.41 9.27 -9.76 -1.7 0
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225550 85852868 1 NSO4C13H17 ABC4D13E17 -178.84 3.07 -8.93 -0.6 0
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225551 85852870 1 ClSN2H11C14 ABC2D11E14 70.18 3.58 -9.41 -1.27 1
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225552 85852871 1 C8H13 A8B13 23.0 0.65 0.0 0.0 0
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225553 85852876 2 FH14C15 AB14C15 -39.9 3.17 -8.88 -0.39 0
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225554 85856082 1 ON2F3H13C17 AB2C3D13E17 -130.52 6.84 -9.99 -1.54 0
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225555 85856087 1 NF2O2C15H19 AB2C2D15E19 -178.55 1.01 -8.85 0.07 0
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225556 85856088 2 NF3H3C8 AB3C3D8 -206.05 2.51 -10.64 -1.97 0
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225557 85856093 1 BrNF2H6C13 ABC2D6E13 -11.2 4.8 -10.05 -1.31 0
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225558 85856095 1 NF6H7C15 AB6C7D15 -243.02 3.34 -10.37 -1.72 0
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225559 85856098 1 N2F4H6C15 A2B4C6D15 -93.16 3.28 -10.38 -1.75 0
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225560 85856105 1 NF2O2C16H21 AB2C2D16E21 -182.99 0.34 -8.83 0.09 0
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225561 85856109 1 N2F3H7C15 A2B3C7D15 -47.67 7.75 -10.31 -1.56 0
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225562 85856113 1 N2F4H6C15 A2B4C6D15 -93.3 6.01 -10.42 -1.68 0
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225563 85856120 1 N2F6H8C15 A2B6C8D15 -243.88 8.92 -9.29 -1.3 0
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225564 85856137 1 ClNF2H8C14 ABC2D8E14 -33.06 4.96 -9.77 -1.06 0
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225565 85856141 1 ClNF4H6C14 ABC4D6E14 -135.62 3.89 -10.0 -1.6 0
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225566 85856145 1 ON2F3H11C16 AB2C3D11E16 -133.2 9.69 -9.16 -1.29 0
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225567 85856169 1 ON2C16H26 AB2C16D26 -8.7 4.23 -9.68 -0.39 1
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225568 85856170 1 ON2C16H27 AB2C16D27 -8.1 4.77 0.0 0.0 0
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225569 85856171 1 O2N3C15H33 A2B3C15D33 -138.81 6.13 -9.34 0.57 0
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225570 85856180 1 O3C17H18 A3B17C18 -76.59 1.32 -9.41 -0.58 0
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225571 85856182 1 OSSeC16H16 ABCD16E16 14.21 2.78 -8.53 -0.6 0
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225572 85856183 1 O2N3H7C14 A2B3C7D14 112.45 4.59 -10.37 -2.11 0
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225573 85856184 2 NO2H5C6 AB2C5D6 -23.32 6.09 -8.78 -1.35 0
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225574 85856189 1 C3N6H10 A3B6C10 50.03 4.51 -9.25 0.65 0
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225575 85856190 1 NSSeC17H19 ABCD17E19 67.97 3.05 -8.21 -0.34 0
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225576 85856199 2 O2C7H9 A2B7C9 -141.3 2.47 -9.42 -0.27 0
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225577 85856234 1 N2O2C13H16 A2B2C13D16 -29.38 1.62 -8.64 0.25 0
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225578 85856237 1 N2O4H24C33 A2B4C24D33 -20.37 2.63 -8.59 -1.11 0
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225579 85856246 1 ON6C11H12 AB6C11D12 63.75 7.33 -9.34 -1.02 0
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225580 85856247 1 SN3O3C11H13 AB3C3D11E13 -23.84 3.7 -8.79 -1.93 0
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225581 85856248 1 O3C9H14 A3B9C14 -127.92 4.24 -10.16 -0.47 0
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225582 85856257 1 ClSN2C11H11 ABC2D11E11 43.24 1.96 -8.91 -1.19 0
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225583 85856259 1 SO2N3C11H11 AB2C3D11E11 50.54 3.83 -9.08 -1.85 0
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225584 85856267 1 ClNOSH10C11 ABCDE10F11 -13.4 1.82 -9.75 -0.99 0
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225585 85856272 2 OH7C9 AB7C9 -8.11 5.59 -9.4 -1.06 0
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225586 85856280 1 O3C19H26 A3B19C26 -147.05 5.47 -9.76 -0.01 0