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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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28373 827243 1 NO2C13H21 AB2C13D21 -69.75 1.26 -8.49 0.23 0
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28374 827253 1 ON2C20H30 AB2C20D30 -37.4 3.82 -8.22 -0.38 0
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28375 827257 1 ClFNSH17C18 ABCDE17F18 -0.45 2.26 -8.46 -0.68 0
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28376 827273 1 SN2C21H26 AB2C21D26 44.35 3.77 -7.94 0.0 0
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28377 827276 1 NSO2C20H23 ABC2D20E23 -37.11 3.48 -8.3 -0.26 0
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28378 827283 1 SN2C19H22 AB2C19D22 53.4 0.91 -7.86 -0.01 0
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28379 827288 1 ClNSC19H20 ABCD19E20 26.2 1.26 -8.56 -0.54 0
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28380 827297 1 ClNS2C18H20 ABC2D18E20 35.23 1.29 -8.56 -0.41 0
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28381 827298 1 O2N3C15H23 A2B3C15D23 -69.4 4.83 -8.35 -0.4 0
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28382 827312 1 ClNOSC19H22 ABCDE19F22 -13.08 4.61 -8.77 -0.48 1
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28383 827325 1 NS2C19H24 AB2C19D24 78.03 2.34 0.0 0.0 0
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28384 827326 2 ON3C5H5 AB3C5D5 81.77 7.21 -9.34 -0.88 0
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28385 827328 1 NSO2C18H19 ABC2D18E19 -29.03 4.29 -8.82 -0.61 0
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28386 827331 1 NOSC14H21 ABCD14E21 -32.18 2.6 -8.67 0.4 0
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28387 827341 1 ClNOSC14H20 ABCDE14F20 -45.28 3.53 -8.68 -0.09 0
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28388 827345 1 NOSF3C15H20 ABCD3E15F20 -196.34 1.96 -8.84 -0.68 0
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28389 827346 1 N3O3H11C12 A3B3C11D12 13.06 5.82 -10.1 -1.75 0
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28390 827349 1 NOSC11H15 ABCD11E15 -44.63 4.41 -8.69 -0.32 0
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28391 827351 1 NSO2C20H21 ABC2D20E21 -24.91 6.02 -8.72 -0.75 0
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28392 827352 1 NSO2C20H21 ABC2D20E21 -23.47 5.22 -8.7 -0.76 0
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28393 827353 1 NS2C17H19 AB2C17D19 51.86 2.28 -8.2 -0.31 0
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28394 827354 1 NS2C17H19 AB2C17D19 48.62 2.03 -8.34 -0.4 0
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28395 827355 1 NS2C18H21 AB2C18D21 45.76 1.39 -8.31 -0.4 0
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28396 827360 1 NSO2C17H17 ABC2D17E17 -39.77 5.03 -8.61 -0.33 0
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28397 827363 1 ClNOSH12C15 ABCDE12F15 -5.4 4.53 -8.69 -0.54 0
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28398 827364 1 ClNOSH12C15 ABCDE12F15 -5.82 3.28 -8.87 -0.67 0
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28399 827368 1 NSC17H17 ABC17D17 48.39 1.63 -8.64 -0.15 0
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28400 827369 1 ClN4H11C13 AB4C11D13 99.61 2.92 -9.01 -0.85 0
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28401 827374 1 NOSC16H19 ABCD16E19 9.48 3.21 -8.41 -0.16 0
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28402 827375 1 NSO2C14H15 ABC2D14E15 -35.82 1.23 -8.41 -0.34 0
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28403 827376 1 NOSC15H17 ABCD15E17 4.72 3.65 -8.34 -0.05 0
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28404 827377 1 ON4C11H12 AB4C11D12 31.83 8.53 -9.3 -0.32 0
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28405 827384 1 NOSC17H21 ABCD17E21 -6.88 3.03 -8.2 -0.18 0
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28406 827397 1 ON2C17H30 AB2C17D30 -41.45 1.81 -8.45 0.37 0
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28407 827414 1 ClON6C10H17 ABC6D10E17 -4.51 2.87 -9.46 -0.4 0
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28408 827420 1 NO2H15C16 AB2C15D16 -31.58 3.64 -9.77 -0.52 0
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28409 827426 1 SN5H13C14 AB5C13D14 117.48 3.93 -9.02 -0.84 0
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28410 827431 1 ClON5C10H10 ABC5D10E10 26.17 3.34 -8.84 -0.68 0
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28411 827441 2 ON2C9H13 AB2C9D13 -67.69 3.19 -9.01 0.09 0
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28412 827445 1 N2S2O3H4C7 A2B2C3D4E7 20.32 5.42 -9.41 -2.63 0
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28413 827446 1 NO4C19H21 AB4C19D21 -136.29 3.88 -9.06 -0.66 0
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28414 827448 1 FSN2O2C17H17 ABC2D2E17F17 -105.77 4.71 -8.49 -1.05 0
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28415 827450 1 N2O2H12C13 A2B2C12D13 -10.84 5.8 -9.64 -1.05 0
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28416 827452 1 Cl2N2O2H8C15 A2B2C2D8E15 12.04 2.79 -9.63 -1.12 0
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28417 827460 1 N2O2C15H20 A2B2C15D20 -43.71 5.67 -8.6 -0.38 0
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28418 827461 3 OC4H6 AB4C6 -152.5 3.39 -10.15 0.29 0
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28419 827463 1 ClNO2C8H8 ABC2D8E8 -82.92 3.36 -9.06 -0.9 0
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28420 827466 1 O2C11H20 A2B11C20 -126.83 4.58 -9.55 0.52 0
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28421 827470 1 INO2C12H18 ABC2D12E18 -94.13 1.64 -9.12 -0.94 0
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28422 827477 1 ClNO3C14H14 ABC3D14E14 -120.76 2.84 -9.42 -0.65 0