List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
28023 824945 1 NSO3H11C12 ABC3D11E12 -93.04 4.53 -8.72 -1.12 0
28024 824947 1 NO2C15H23 AB2C15D23 -83.74 4.05 -8.73 0.26 0
28025 824970 1 N2O3C13H14 A2B3C13D14 -82.57 3.72 -8.81 -0.25 0
28026 825074 1 ClNO2H12C16 ABC2D12E16 -33.24 5.37 -9.41 -1.14 0
28027 825085 1 ClN3H12C14 AB3C12D14 78.91 6.2 -8.73 -0.74 0
28028 825151 1 SN4C7H8 AB4C7D8 45.28 1.41 -8.09 -0.4 0
28029 825155 1 NO4H15C19 AB4C15D19 -104.51 9.9 -9.03 -1.16 0
28030 825156 1 NO4H15C19 AB4C15D19 -104.49 9.9 -9.03 -1.16 0
28031 825166 1 ClSN2O3H11C16 ABC2D3E11F16 -52.55 7.75 -9.22 -2.2 0
28032 825167 1 O4H12C17 A4B12C17 -102.51 9.56 -9.49 -1.22 0
28033 825208 1 NO3C12H13 AB3C12D13 -95.97 5.39 -8.89 -0.48 0
28034 825209 1 NO3Cl4H5C10 AB3C4D5E10 -110.6 4.72 -9.74 -1.94 1
28035 825221 1 ClO2N3C18H19 AB2C3D18E19 -16.04 7.72 0.0 0.0 0
28036 825225 1 O3N5H11C17 A3B5C11D17 29.99 6.46 -9.54 -1.02 0
28037 825230 1 O2S3H14C15 A2B3C14D15 -3.92 3.23 -8.44 -1.1 0
28038 825240 1 ON2S2H8C12 AB2C2D8E12 34.59 0.2 -8.94 -0.96 0
28039 825247 1 SO2N3H15C17 AB2C3D15E17 65.99 1.29 -8.92 -0.54 0
28040 825248 1 O2N5H13C19 A2B5C13D19 125.52 10.82 -9.02 -1.72 0
28041 825253 1 O2S2N3H13C15 A2B2C3D13E15 86.24 2.49 -8.82 -0.84 0
28042 825266 1 S2N3H13C18 A2B3C13D18 105.9 1.94 -8.71 -0.82 0
28043 825290 1 NO2S2H7C10 AB2C2D7E10 -13.83 3.47 -9.19 -1.88 0
28044 825296 1 NO4C12H15 AB4C12D15 -154.78 6.11 -8.56 -0.12 0
28045 825307 1 NO2H15C16 AB2C15D16 -35.91 2.39 -8.84 -0.52 0
28046 825308 1 BrN2O2C13H17 AB2C2D13E17 -91.29 2.99 -9.15 -0.75 0
28047 825309 1 BrN2O2C13H17 AB2C2D13E17 -91.21 3.18 -9.15 -0.77 0
28048 825310 2 NOC5H5 ABC5D5 -70.42 5.11 -9.38 -0.87 0
28049 825314 1 NOC11H13 ABC11D13 -33.96 2.68 -8.65 0.02 0
28050 825318 1 O2H14C17 A2B14C17 -21.12 3.52 -9.01 -0.61 0
28051 825328 2 NOC5H6 ABC5D6 -59.72 5.99 -9.3 -0.17 0
28052 825329 1 NSO3C14H17 ABC3D14E17 -70.66 4.46 -9.27 -0.32 0
28053 825339 1 NOC13H13 ABC13D13 34.49 0.65 -8.8 -0.51 0
28054 825340 1 O4H14C15 A4B14C15 -124.8 4.24 -9.71 -0.3 0
28055 825349 1 ClSO3N4H9C11 ABC3D4E9F11 17.12 2.24 -9.82 -2.37 0
28056 825352 1 NO2H17C22 AB2C17D22 45.16 3.26 -9.05 -0.7 0
28057 825354 1 NOSC19H23 ABCD19E23 -35.06 3.25 -8.53 -0.41 0
28058 825359 1 BrOSN3C12H12 ABCD3E12F12 31.58 6.12 -9.64 -1.1 0
28059 825361 1 SO2N3C8H13 AB2C3D8E13 -53.4 5.13 -9.65 -1.08 0
28060 825362 1 ClSO3N4H11C12 ABC3D4E11F12 16.23 7.96 -10.05 -1.72 0
28061 825363 1 OSN3C9H15 ABC3D9E15 -24.19 2.97 -9.62 -1.09 0
28062 825364 1 OSN4C12H14 ABC4D12E14 17.3 3.36 -9.01 -1.21 0
28063 825365 2 OC9H14 AB9C14 -103.29 7.53 -9.47 -0.21 0
28064 825366 2 OC9H14 AB9C14 -103.36 7.51 -9.48 -0.19 0
28065 825367 2 OC9H14 AB9C14 -103.6 7.46 -9.46 -0.17 0
28066 825368 2 OC9H14 AB9C14 -103.62 7.44 -9.46 -0.17 0
28067 825369 1 SN2C9H12 AB2C9D12 27.3 6.0 -8.46 -0.43 0
28068 825370 1 O2C19H32 A2B19C32 -24.07 5.95 -5.49 -1.91 0
28069 825371 1 O2C19H32 A2B19C32 -20.63 5.6 -5.42 -1.93 0
28070 825372 1 OSN3C8H13 ABC3D8E13 -14.5 5.5 -9.96 -0.9 0
28071 825374 1 OSN3C10H17 ABC3D10E17 -22.85 6.54 -9.52 -0.9 0
28072 825382 1 O2N3H15C21 A2B3C15D21 47.53 8.25 -8.9 -1.11 0
28073 825387 1 OSN4H14C16 ABC4D14E16 54.67 3.19 -9.03 -1.21 0
28074 825389 1 SO3N4H10C15 AB3C4D10E15 68.04 5.13 -9.58 -1.72 0
28075 825391 1 SO3N4C12H12 AB3C4D12E12 17.34 5.6 -9.71 -1.86 0
28076 825392 1 SO3N4H12C16 AB3C4D12E16 45.82 13.41 -9.4 -1.47 0
28077 825393 1 SO3N4H10C11 AB3C4D10E11 21.04 3.38 -9.74 -1.8 0
28078 825394 1 SN4O4H10C11 AB4C4D10E11 -21.79 10.79 -9.71 -1.53 0
28079 825402 1 O3H12C13 A3B12C13 -70.02 3.17 -9.14 -0.77 0
28080 825429 1 SN3O4H9C11 AB3C4D9E11 -22.71 6.83 -9.37 -1.71 1
28081 825430 1 SN2H15C17 AB2C15D17 85.84 5.16 0.0 0.0 0
28082 825438 1 ClNOH14C19 ABCD14E19 27.9 5.07 -8.47 -0.95 0
28083 825442 1 ClNO2C14H16 ABC2D14E16 -67.54 3.64 -9.41 -0.74 0
28084 825446 1 N2O4H14C17 A2B4C14D17 -76.08 2.84 -9.02 -1.53 0
28085 825453 1 NSO2F3C8H8 ABC2D3E8F8 -216.79 7.67 -9.16 -0.92 0
28086 825454 1 NSCl2O2H9C12 ABC2D2E9F12 -42.4 5.39 -9.12 -0.93 0
28087 825462 1 SO2F3N3H8C14 AB2C3D3E8F14 -91.99 3.04 -8.89 -2.11 0
28088 825469 2 ClNOH5C7 ABCD5E7 -1.3 3.78 -9.32 -1.01 0
28089 825470 1 ClSN2O2C15H23 ABC2D2E15F23 -78.12 4.67 -8.79 -0.86 0
28090 825474 1 ON2H12C14 AB2C12D14 32.38 6.35 -9.06 -0.88 0
28091 825479 1 NSCl2O2H9C12 ABC2D2E9F12 -45.72 4.09 -9.08 -0.96 0
28092 825484 1 ON2H14C15 AB2C14D15 18.67 2.57 -8.38 -0.64 0
28093 825488 1 ClN2O3H11C14 AB2C3D11E14 -14.2 2.07 -9.19 -1.82 0
28094 825491 1 N3O3C18H25 A3B3C18D25 -104.4 5.79 -8.9 -0.62 0
28095 825493 1 NCl2O3H11C12 AB2C3D11E12 -114.9 3.53 -9.39 -1.07 0
28096 825542 2 NO2H7C8 AB2C7D8 -48.42 3.45 -8.81 -0.86 0
28097 825551 1 ClO2N5H6C9 AB2C5D6E9 109.16 6.85 -10.24 -2.13 0
28098 825553 1 FSN2H13C16 ABC2D13E16 38.66 3.55 -8.98 -1.42 0
28099 825554 1 N2O5H10C16 A2B5C10D16 -97.4 0.93 -10.14 -2.1 0
28100 825557 1 O2N3H15C20 A2B3C15D20 32.6 1.15 -9.13 -1.24 0
28101 825569 1 SO2N5H11C15 AB2C5D11E15 136.16 4.9 -8.75 -1.67 0
28102 825573 1 N3O4H17C18 A3B4C17D18 3.19 2.34 -9.48 -1.74 0
28103 825574 1 N2O3H16C19 A2B3C16D19 -47.8 4.03 -8.74 -0.74 0
28104 825582 1 BrOSN2C9H11 ABCD2E9F11 -10.59 2.35 -8.77 -0.79 0
28105 825583 1 BrOSN2C9H11 ABCD2E9F11 -10.57 2.35 -8.77 -0.79 0
28106 825585 1 Cl2N3O4H7C12 A2B3C4D7E12 3.68 7.48 -9.71 -1.67 0
28107 825586 1 FON3H12C16 ABC3D12E16 12.9 4.17 -8.48 -0.72 0
28108 825595 2 ON3C7H9 AB3C7D9 66.28 6.39 -9.27 -1.43 0
28109 825603 1 SN2H14C19 AB2C14D19 118.75 2.56 -8.79 -1.35 0
28110 825621 1 NOCl2C14H15 ABC2D14E15 -42.55 4.64 -9.03 -0.74 0
28111 825625 1 BrNOC13H16 ABCD13E16 -34.27 4.31 -9.13 -0.47 0
28112 825632 1 BrON6H11C13 ABC6D11E13 108.82 8.64 -9.38 -1.45 0
28113 825640 1 N2O3H12C17 A2B3C12D17 -3.28 8.14 -8.71 -1.87 0
28114 825658 1 NO3H15C20 AB3C15D20 -35.8 4.26 -9.27 -0.61 0
28115 825660 1 Cl2N2O2H12C15 A2B2C2D12E15 -44.88 7.01 -8.93 -1.18 0
28116 825685 1 N2O4H16C19 A2B4C16D19 -56.06 4.04 -8.56 -0.9 0
28117 825686 1 ClNSO4H12C14 ABCD4E12F14 -99.98 4.0 -8.97 -0.98 0
28118 825708 1 FN7C14H18 AB7C14D18 33.68 4.94 -8.89 -0.38 0
28119 825711 1 BrNO3H10C12 ABC3D10E12 -41.99 3.91 -9.63 -0.91 0
28120 825712 1 N2F3O4H9C15 A2B3C4D9E15 -155.94 4.37 -9.68 -1.89 0
28121 825717 1 BrNO2C17H18 ABC2D17E18 -42.18 2.92 -8.75 -1.11 0
28122 825718 1 O3C20H30 A3B20C30 -183.79 4.11 -9.61 0.15 0