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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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314550 126622114 1 FN2O3C19H19 AB2C3D19E19 -104.75 5.6 -8.7 -1.22 0
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314551 126622118 1 FN3O4C20H22 AB3C4D20E22 -162.46 4.51 -8.93 -1.21 0
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314552 126622126 1 N3O4C17H17 A3B4C17D17 -98.43 7.44 -9.0 -1.24 0
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314553 126622131 1 FN3O3C20H20 AB3C3D20E20 -86.09 4.96 -9.01 -1.41 0
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314554 126622132 1 FN2O5C17H17 AB2C5D17E17 -207.62 6.37 -9.03 -1.47 0
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314555 126622133 1 ClO2N3H8C10 AB2C3D8E10 -20.41 0.95 -9.32 -1.69 0
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314556 126622137 1 O2N3H7C10 A2B3C7D10 1.74 4.54 -9.2 -1.63 0
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314557 126622139 1 ClN3O3H10C13 AB3C3D10E13 23.31 5.63 -9.62 -2.47 0
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314558 126622140 1 ClNO3C11H18 ABC3D11E18 -157.55 2.77 -9.97 0.33 0
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314559 126622141 1 N3O4C20H25 A3B4C20D25 -148.02 5.65 -8.86 -1.09 0
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314560 126622142 1 FN3O4C18H18 AB3C4D18E18 -145.87 4.24 -9.03 -1.28 0
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314561 126622143 1 N3O4C20H25 A3B4C20D25 -110.42 3.99 -9.47 -1.32 0
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314562 126622144 1 N4O4H20C21 A4B4C20D21 -61.7 5.93 -8.93 -1.63 0
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314563 126622156 1 O4N5C22H23 A4B5C22D23 -76.3 4.85 -8.89 -1.49 0
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314564 126622176 1 FN3O3C18H18 AB3C3D18E18 -92.53 4.95 -9.11 -1.5 0
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314565 126622183 1 NO4C7H9 AB4C7D9 -152.66 3.04 -10.06 -0.36 0
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314566 126622188 1 NO7H9C11 AB7C9D11 -184.87 5.65 -10.23 -1.93 -1
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314567 126622203 1 BrNZnH7C8 ABCD7E8 84.22 4.51 0.0 0.0 0
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314568 126622207 1 N2O3C14H14 A2B3C14D14 -25.26 1.33 -9.25 -1.1 0
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314569 126622217 1 BrFO5N7H27C28 ABC5D7E27F28 -138.45 8.61 -8.98 -0.96 0
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314570 126622218 1 BrNO2H10C11 ABC2D10E11 -37.95 5.02 -8.62 -0.67 0
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314571 126622219 1 IN4O4C27H29 AB4C4D27E29 -53.61 4.52 -8.84 -1.13 0
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314572 126622220 3 NC7H7 AB7C7 75.05 3.38 -8.78 -0.77 0
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314573 126622222 1 NO4C14H17 AB4C14D17 -125.6 3.6 -9.01 -0.64 0
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314574 126622227 1 O3N4H10C13 A3B4C10D13 -12.22 6.02 -9.25 -1.98 0
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314575 126622247 1 NSO3C13H13 ABC3D13E13 -85.36 2.61 -8.44 -0.91 0
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314576 126622251 1 N3C21H25 A3B21C25 40.61 2.15 -8.61 -0.54 0
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314577 126622253 1 ClPF2N5O7H31C35 ABC2D5E7F31G35 -329.22 5.8 -9.02 -1.12 0
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314578 126622254 1 BrFO5N7H33C35 ABC5D7E33F35 -106.79 8.21 -9.01 -0.94 0
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314579 126622263 1 BrNO4C17H20 ABC4D17E20 -145.34 4.64 -8.57 -0.63 0
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314580 126622265 1 N3C18H23 A3B18C23 33.15 6.59 -8.64 -0.58 0
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314581 126622283 2 BrNC7H8 ABC7D8 24.19 4.65 -8.98 -1.03 0
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314582 126622286 1 ON2C17H26 AB2C17D26 -62.96 3.22 -9.18 0.26 0
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314583 126622291 1 ON2C18H28 AB2C18D28 -67.44 3.32 -9.1 0.3 0
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314584 126622305 1 O2N3C17H21 A2B3C17D21 -57.9 1.62 -9.26 -0.52 0
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314585 126622306 1 N2C19H20 A2B19C20 81.96 5.56 -9.11 -0.83 0
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314586 126622310 1 BrOF3N7H17C24 ABC3D7E17F24 -37.07 7.79 -9.11 -1.28 0
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314587 126622320 1 ClO2N4H19C22 AB2C4D19E22 58.86 2.87 -9.08 -0.84 0
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314588 126622338 1 N3C18H23 A3B18C23 34.24 5.15 -8.72 -0.58 0
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314589 126622356 1 FO2N5H20C25 AB2C5D20E25 34.5 3.02 -9.0 -0.79 0
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314590 126622360 1 IO4N5C22H26 AB4C5D22E26 -72.7 3.36 -9.02 -1.26 0
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314591 126622371 1 NO4H19C21 AB4C19D21 -102.73 5.33 -9.24 -1.85 0
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314592 126622373 1 OF4N7H17C24 AB4C7D17E24 -74.26 4.75 -9.13 -1.23 0
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314593 126622383 1 FN2O3C17H25 AB2C3D17E25 -200.41 5.69 -9.53 -0.19 0
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314594 126622390 1 SN2O6C12H12 AB2C6D12E12 -123.56 2.61 -10.48 -2.29 0
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314595 126622393 1 BrOF3N7H19C25 ABC3D7E19F25 -48.18 7.77 -9.11 -1.3 0
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314596 126622394 1 OF3N8H19C24 AB3C8D19E24 -38.51 7.42 -8.8 -1.16 0
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314597 126622395 1 SN2C8H8 AB2C8D8 57.69 3.97 -8.97 -0.82 0
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314598 126622396 1 O2F3N8H21C26 A2B3C8D21E26 -65.97 9.17 -9.06 -1.09 0
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314599 126622397 1 NO2C17H19 AB2C17D19 -53.77 4.87 -9.18 0.36 0