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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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293400 117387110 1 ClO2N3C11H12 AB2C3D11E12 -37.01 3.47 -8.67 -0.44 0
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293401 117387230 1 ClNO2C13H16 ABC2D13E16 -59.26 1.78 -8.79 -0.26 0
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293402 117387237 1 ClNO2C13H16 ABC2D13E16 -58.95 4.83 -9.01 -0.18 0
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293403 117387239 1 ClNO2C13H16 ABC2D13E16 -63.31 3.4 -8.85 -0.17 0
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293404 117387240 1 ClNO2C13H16 ABC2D13E16 -57.74 2.8 -8.86 -0.39 0
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293405 117387302 1 ClNO2C13H16 ABC2D13E16 -67.29 5.5 -9.25 0.02 0
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293406 117387305 1 ClNO2C13H16 ABC2D13E16 -97.6 5.29 -9.49 -0.22 0
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293407 117387416 1 ClNO2C13H16 ABC2D13E16 -53.79 6.71 -8.65 -0.32 0
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293408 117387523 1 ClNO2C13H16 ABC2D13E16 -66.27 3.17 -8.83 -0.35 0
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293409 117387807 1 ClNOC14H20 ABCD14E20 -66.44 3.8 -8.57 -0.02 0
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293410 117387871 1 ClNOC14H20 ABCD14E20 -39.82 3.0 -9.07 -0.02 0
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293411 117387960 1 ClNOC14H20 ABCD14E20 -44.37 3.73 -8.58 0.0 0
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293412 117387987 1 ClNOC14H20 ABCD14E20 -52.45 2.66 -8.88 0.0 0
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293413 117388037 1 ClNSC13H16 ABCD13E16 45.03 2.95 -8.76 -0.52 0
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293414 117388042 1 ClNSC13H16 ABCD13E16 17.36 4.47 -8.55 -0.31 0
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293415 117388087 1 BrON3H8C9 ABC3D8E9 23.3 3.96 -9.05 -0.47 0
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293416 117388108 1 BrNOC11H12 ABCD11E12 2.11 4.29 -9.42 -0.9 0
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293417 117388239 1 F2N2O3H8C11 A2B2C3D8E11 -129.62 4.67 -8.96 -2.13 0
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293418 117388254 1 O7H10C11 A7B10C11 -268.76 2.16 -10.41 -1.42 0
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293419 117388317 1 F2O3H12C13 A2B3C12D13 -190.92 5.41 -9.66 -1.01 0
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293420 117388318 1 F2O3H12C13 A2B3C12D13 -189.2 5.98 -9.73 -1.01 0
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293421 117388326 1 F2O3H12C13 A2B3C12D13 -185.21 3.76 -9.42 -0.66 0
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293422 117388373 2 O3C6H7 A3B6C7 -232.31 1.73 -8.7 -0.46 0
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293423 117388374 2 O3C6H7 A3B6C7 -231.82 5.02 -8.76 -0.43 0
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293424 117388387 2 O3C6H7 A3B6C7 -223.9 3.52 -8.75 -0.59 0
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293425 117388448 1 N2O3H10C14 A2B3C10D14 -14.0 4.52 -9.48 -1.62 0
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293426 117388449 1 N2O3H10C14 A2B3C10D14 -16.36 5.16 -9.42 -1.56 0
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293427 117388473 1 FO4C13H15 AB4C13D15 -172.8 3.86 -9.33 -0.44 0
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293428 117388535 1 FO4C13H15 AB4C13D15 -201.97 4.78 -8.94 -0.28 0
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293429 117388572 1 FO4C13H15 AB4C13D15 -222.62 8.79 -9.82 -0.8 0
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293430 117388574 1 FO4C13H15 AB4C13D15 -199.12 6.57 -9.11 -0.35 0
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293431 117388578 1 FO4C13H15 AB4C13D15 -199.17 4.81 -9.03 -0.38 0
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293432 117388624 1 FO4C13H15 AB4C13D15 -206.28 3.14 -9.0 -0.38 0
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293433 117388629 1 FO4C13H15 AB4C13D15 -213.56 5.19 -9.36 -0.46 0
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293434 117388678 1 SN2O4C10H10 AB2C4D10E10 -79.65 6.17 -8.95 -0.37 0
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293435 117388734 2 FOC7H8 ABC7D8 -179.08 5.03 -9.85 -0.45 0
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293436 117388789 1 FSN2O2C11H11 ABC2D2E11F11 -42.55 4.62 -8.43 -0.46 0
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293437 117388839 1 O5C13H18 A5B13C18 -190.88 4.35 -9.17 -0.41 0
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293438 117388962 1 N2O2H14C15 A2B2C14D15 -5.67 2.91 -8.76 -0.88 0
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293439 117388968 1 ON4C14H14 AB4C14D14 63.22 3.29 -9.24 -0.89 0
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293440 117388974 1 ON4C14H14 AB4C14D14 48.6 4.77 -9.53 -0.96 0
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293441 117389011 1 SO4C12H14 AB4C12D14 -144.07 4.31 -8.35 -0.47 0
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293442 117389019 1 SO4C12H14 AB4C12D14 -152.64 4.8 -8.99 -0.54 0
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293443 117389052 1 SO4C12H14 AB4C12D14 -140.66 7.75 -10.3 -0.93 0
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293444 117389105 1 FO3C14H19 AB3C14D19 -150.63 3.61 -8.66 0.04 0
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293445 117389201 1 FN2O2C13H19 AB2C2D13E19 -105.54 1.87 -8.79 -0.21 0
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293446 117389264 2 FNC7H10 ABC7D10 -91.36 4.06 -8.84 0.31 0
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293447 117389286 2 FNC7H10 ABC7D10 -95.26 1.03 -8.74 -0.06 0
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293448 117389484 1 SN2O2C12H18 AB2C2D12E18 -72.59 3.93 -8.82 0.08 0
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293449 117389582 1 ClO2F3C10H10 AB2C3D10E10 -249.27 5.61 -9.56 -0.74 0