List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
446046 135271961 1 NO2C6H13 AB2C6D13 -104.15 2.17 -9.13 1.89 0
446047 135271963 1 N3S3O8C40H61 A3B3C8D40E61 -261.42 3.68 -8.45 -0.93 0
446048 135271967 1 N3S3O14C56H75 A3B3C14D56E75 -441.24 10.22 -7.86 -0.89 0
446049 135272033 1 OSH14C15 ABC14D15 70.33 2.57 -8.78 -0.86 0
446050 135272042 1 PSO3C8H19 ABC3D8E19 -244.76 1.44 -9.3 0.1 0
446051 135272049 1 NSO4C25H31 ABC4D25E31 -143.36 3.42 -8.09 -0.48 0
446052 135272050 1 NO3C12H17 AB3C12D17 -110.3 2.68 -10.11 -1.45 0
446053 135272055 1 NO2C41H63 AB2C41D63 -138.24 2.01 -9.26 -1.48 0
446054 135272056 1 NO2C30H41 AB2C30D41 -87.91 1.69 -9.26 -1.53 0
446055 135272067 1 ClSN11O12C61H76 ABC11D12E61F76 -440.85 6.95 -8.27 -1.35 0
446056 135272078 1 FON7H26C30 ABC7D26E30 90.76 8.95 -8.42 -1.91 0
446057 135272080 1 FN6H17C25 AB6C17D25 156.89 4.93 -8.53 -2.05 0
446058 135272082 1 FON7H24C29 ABC7D24E29 98.06 9.81 -8.42 -1.91 0
446059 135272084 1 FON7H24C33 ABC7D24E33 134.32 9.2 -8.43 -1.93 0
446060 135272092 1 FON7H22C29 ABC7D22E29 130.21 9.78 -8.43 -1.92 0
446061 135272096 1 FON7H28C32 ABC7D28E32 91.12 9.8 -8.42 -1.91 0
446062 135272098 1 F3N7H24C30 A3B7C24D30 45.49 7.05 -8.56 -2.07 0
446063 135272107 1 FN6H17C25 AB6C17D25 157.63 7.11 -8.57 -2.07 0
446064 135272110 1 FON7H28C31 ABC7D28E31 114.08 9.44 -8.47 -1.95 0
446065 135272111 1 FON6H19C26 ABC6D19E26 119.14 8.42 -8.48 -1.98 0
446066 135272114 1 FON7H26C30 ABC7D26E30 113.89 8.12 -8.5 -1.99 0
446067 135272133 1 OF3N3H22C27 AB3C3D22E27 -79.42 9.45 -9.0 -1.38 0
446068 135272137 1 ClF3N3H9C14 AB3C3D9E14 -65.0 6.99 -9.4 -1.59 0
446069 135272142 1 O2N3C21H31 A2B3C21D31 -84.55 5.58 -8.25 -0.51 0
446070 135272143 1 O2N3C22H31 A2B3C22D31 -81.62 3.97 -8.43 -0.56 0
446071 135272144 1 SN4O5H12C13 AB4C5D12E13 -2.57 8.26 -9.41 -1.84 0
446072 135272148 1 ClO2N4C23H29 AB2C4D23E29 -52.33 6.86 -8.32 -0.34 0
446073 135272156 1 O2N3C21H29 A2B3C21D29 -74.11 6.15 -8.32 -0.45 0
446074 135272166 1 N2O2C21H28 A2B2C21D28 -81.4 3.0 -8.44 -0.71 0
446075 135272173 1 O2N3C20H29 A2B3C20D29 -77.25 7.54 -8.53 -0.76 0
446076 135272178 1 ON4C18H26 AB4C18D26 -19.85 3.61 -8.36 -0.43 0
446077 135272199 1 ClSO2N4H11C13 ABC2D4E11F13 18.0 6.04 -9.79 -1.03 0
446078 135272215 1 ClSO2N3H14C15 ABC2D3E14F15 -16.47 3.56 -8.93 -0.91 0
446079 135272225 1 S2O3N4C26H26 A2B3C4D26E26 -12.05 4.5 -8.88 -1.46 0
446080 135272230 1 FN4O4H11C14 AB4C4D11E14 -92.68 6.4 -9.36 -1.06 0
446081 135272245 1 N3O3C17H17 A3B3C17D17 -17.97 4.36 -9.05 -0.76 0
446082 135272252 1 O3N4H14C15 A3B4C14D15 17.32 5.33 -9.05 -0.92 0
446083 135272266 1 OSN4F6H10C17 ABC4D6E10F17 -263.26 5.03 -9.52 -1.27 0
446084 135272268 1 OSN6H10C17 ABC6D10E17 123.02 5.03 -9.51 -1.51 0
446085 135272271 1 NO3C8H9 AB3C8D9 -47.65 3.84 -10.62 -0.32 0
446086 135272281 1 IN2O10C36H53 AB2C10D36E53 -454.09 6.76 -9.66 -1.22 0
446087 135272289 1 N6O10C21H42 A6B10C21D42 -457.19 4.0 -9.52 0.41 0
446088 135272290 1 N5O10C21H41 A5B10C21D41 -461.57 3.58 -9.59 0.46 0
446089 135272294 1 N6O13C50H62 A6B13C50D62 -451.57 1.86 -9.52 -0.76 0
446090 135272307 1 N6O15C46H60 A6B15C46D60 -570.71 3.9 -9.43 -0.24 0
446091 135272327 1 N3O13C48H65 A3B13C48D65 -568.59 4.84 -9.37 0.03 0
446092 135272329 1 IN3O15C46H60 AB3C15D46E60 -633.0 1.91 -9.43 -1.22 0
446093 135272331 1 N5O9C21H41 A5B9C21D41 -423.35 4.74 -9.36 0.78 0
446094 135272337 3 NO4C14H19 AB4C14D19 -518.59 3.8 -9.48 -0.1 0
446095 135272345 1 FN5O9C21H40 AB5C9D21E40 -465.65 4.59 -9.58 0.68 0
446096 135272346 1 FN4O17C54H57 AB4C17D54E57 -682.74 10.39 -9.7 -0.86 0
446097 135272356 1 N2O10C37H56 A2B10C37D56 -468.24 5.55 -9.6 -0.03 0
446098 135272358 1 N5O8C21H41 A5B8C21D41 -380.07 2.79 -9.25 0.69 0
446099 135272363 1 N5O10C21H41 A5B10C21D41 -464.07 3.78 -9.54 0.7 0
446100 135272367 1 N4O17C50H58 A4B17C50D58 -683.0 4.53 -9.7 -1.06 0
446101 135272375 4 NO4C12H14 AB4C12D14 -638.13 6.41 -9.57 -1.12 0
446102 135272380 1 N6O11C43H58 A6B11C43D58 -391.3 3.74 -9.49 -0.31 0
446103 135272385 1 SN4O18C50H60 AB4C18D50E60 -701.2 5.19 -9.76 -0.64 0
446104 135272390 1 N6O10C23H46 A6B10C23D46 -465.27 5.5 -9.28 0.84 0
446105 135272406 1 N7O10C22H43 A7B10C22D43 -441.08 5.03 -9.35 0.43 0
446106 135272407 1 N7O9C24H49 A7B9C24D49 -415.27 4.79 -9.21 1.02 0
446107 135272414 2 N3O6C12H23 A3B6C12D23 -557.68 2.61 -9.61 0.38 0
446108 135272423 1 N7O11C23H45 A7B11C23D45 -497.72 4.77 -9.61 0.48 0
446109 135272431 1 FN4O15C40H49 AB4C15D40E49 -666.54 8.48 -9.87 -0.42 0
446110 135272434 1 N4O17C51H60 A4B17C51D60 -680.63 5.0 -9.64 -0.93 0
446111 135272439 1 O2N7H19C20 A2B7C19D20 62.58 7.01 -9.1 -0.83 0
446112 135272442 1 FO3N5H16C18 AB3C5D16E18 -55.02 6.97 -9.46 -0.85 0
446113 135272445 1 ON2C28H42 AB2C28D42 -37.85 1.43 -8.26 -0.6 0
446114 135272446 1 N2C25H36 A2B25C36 18.65 0.66 -8.76 -0.89 0
446115 135272448 1 BrN2H13C14 AB2C13D14 77.65 1.82 -8.86 -1.06 0
446116 135272452 1 ON2C30H46 AB2C30D46 -40.48 1.35 -8.28 -0.58 0
446117 135272456 3 FON2C9H9 ABC2D9E9 -145.32 4.31 -8.91 -1.29 0
446118 135272458 1 O2F3N8C25H27 A2B3C8D25E27 -91.04 7.34 -9.13 -1.1 0
446119 135272482 1 O2C15H26 A2B15C26 -131.0 4.08 -9.58 0.74 0
446120 135272490 1 O5C13H20 A5B13C20 -212.08 4.67 -9.85 0.09 0