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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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289350 104346826 1 ON6C11H20 AB6C11D20 18.58 2.18 -9.24 -0.26 0
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289351 104346856 1 OSN5C10H19 ABC5D10E19 8.71 3.36 -8.64 -0.24 0
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289352 104346859 1 OSN5C11H21 ABC5D11E21 5.59 5.33 -8.81 -0.13 0
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289353 104346901 1 ON6C11H16 AB6C11D16 43.17 4.15 -9.47 -0.98 0
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289354 104346934 1 O2N4C9H14 A2B4C9D14 -7.14 4.75 -9.63 -0.48 0
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289355 104347022 2 ON2C5H9 AB2C5D9 -46.26 2.44 -9.51 -0.39 0
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289356 104347088 1 O3N4C13H16 A3B4C13D16 -29.62 2.78 -8.8 -0.51 0
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289357 104347118 2 FON2C6H6 ABC2D6E6 -84.49 3.64 -9.75 -0.79 0
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289358 104347127 2 ON2C7H12 AB2C7D12 -60.35 2.43 -9.44 -0.33 0
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289359 104347165 1 O3N4C13H22 A3B4C13D22 -88.73 1.59 -9.57 -0.46 0
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289360 104347262 1 S2O3N4C9H16 A2B3C4D9E16 -73.61 7.57 -9.26 -0.63 0
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289361 104347291 1 OSN4C11H20 ABC4D11E20 -11.53 1.42 -8.96 -0.52 0
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289362 104347303 1 OSN4C10H18 ABC4D10E18 -7.11 1.72 -9.01 -0.52 0
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289363 104347331 1 SO3N5C12H13 AB3C5D12E13 41.66 4.48 -9.33 -1.61 0
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289364 104347363 1 SO2N7C11H15 AB2C7D11E15 12.94 7.17 -9.43 -1.1 0
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289365 104347368 1 OSN8C11H12 ABC8D11E12 104.7 4.16 -9.43 -1.36 0
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289366 104347390 1 OSN4C11H18 ABC4D11E18 -1.21 1.77 -9.01 -0.56 0
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289367 104347452 1 O3N4C13H20 A3B4C13D20 -115.34 4.44 -8.21 0.09 0
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289368 104347624 1 N3O3C14H19 A3B3C14D19 -112.14 3.25 -8.35 0.0 0
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289369 104347636 1 N3O3C14H19 A3B3C14D19 -112.98 5.81 -8.81 0.18 0
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289370 104347638 1 N3O3C14H19 A3B3C14D19 -113.81 3.32 -8.26 -0.37 0
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289371 104347641 1 O2N3C14H19 A2B3C14D19 -84.79 3.49 -8.72 -0.25 0
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289372 104347695 3 NOC5H7 ABC5D7 -117.71 1.57 -9.37 0.06 0
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289373 104347710 1 O3N4C10H18 A3B4C10D18 -135.23 1.95 -9.66 -0.11 0
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289374 104347785 1 BrSN3O3C13H18 ABC3D3E13F18 -119.36 9.7 -8.77 -0.57 0
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289375 104347791 1 SN3O3C14H21 AB3C3D14E21 -127.79 7.41 -8.77 -0.56 0
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289376 104347884 1 O2F3N3C13H16 A2B3C3D13E16 -229.2 6.08 -8.93 -0.59 0
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289377 104348044 1 SO3N4C13H20 AB3C4D13E20 -111.47 4.27 -8.48 -0.36 0
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289378 104348088 1 ON5C13H17 AB5C13D17 8.29 7.02 -8.66 -1.01 0
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289379 104348260 1 O2N3C14H21 A2B3C14D21 -79.86 4.0 -8.95 0.06 0
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289380 104348384 1 N3O3C15H23 A3B3C15D23 -113.74 3.03 -7.96 0.28 0
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289381 104348401 1 BrSO2N3C13H20 ABC2D3E13F20 -66.3 2.27 -8.91 -0.58 0
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289382 104348529 1 ON4C15H24 AB4C15D24 -33.93 1.98 -8.83 -0.34 0
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289383 104348586 1 BrON3C16H24 ABC3D16E24 -40.38 3.21 -8.12 -0.1 0
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289384 104348619 1 FON3C14H20 ABC3D14E20 -78.65 3.99 -9.19 -0.13 0
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289385 104348631 1 ClON3C14H20 ABC3D14E20 -42.0 4.68 -9.26 -0.17 0
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289386 104348695 1 O2N4C15H22 A2B4C15D22 -85.88 3.9 -8.18 0.21 0
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289387 104348986 1 BrN2O2C11H19 AB2C2D11E19 -119.63 3.15 -9.56 -0.73 0
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289388 104349013 1 N3O3C15H29 A3B3C15D29 -164.74 3.97 -9.41 0.58 0
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289389 104349040 1 O2N3C16H23 A2B3C16D23 -81.95 4.83 -9.51 0.2 0
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289390 104349136 1 ClO2N3C14H18 AB2C3D14E18 -84.73 3.55 -9.88 -0.76 0
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289391 104349201 1 ClSN3O3C11H14 ABC3D3E11F14 -100.28 6.15 -10.05 -1.22 0
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289392 104349246 1 N3O4C12H21 A3B4C12D21 -183.88 4.91 -9.07 0.31 0
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289393 104349256 1 N3O3C14H19 A3B3C14D19 -108.73 3.71 -8.76 0.17 0
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289394 104349342 1 N3O3C14H25 A3B3C14D25 -156.35 4.85 -9.21 0.23 0
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289395 104349349 1 N3O3C15H25 A3B3C15D25 -151.16 2.47 -9.09 0.25 0
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289396 104349432 1 O2N3C16H21 A2B3C16D21 -78.64 5.08 -8.64 -0.07 0
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289397 104349438 1 O2N3C16H31 A2B3C16D31 -138.72 4.79 -9.48 0.98 0
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289398 104349727 1 N3O3C15H17 A3B3C15D17 -77.31 5.83 -9.65 -0.75 0
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289399 104349736 2 ON2C6H7 AB2C6D7 -26.76 4.31 -8.91 -0.72 0