List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
104307 50103991 1 O5N6C29H38 A5B6C29D38 -206.44 8.69 -8.72 -0.38 0
104308 50103992 1 ClO5N6C29H37 AB5C6D29E37 -190.56 3.37 -8.73 -0.96 0
104309 50103999 1 N5O5C27H35 A5B5C27D35 -192.56 5.37 -8.49 -0.11 0
104310 50104000 1 ClO4N5C31H42 AB4C5D31E42 -193.42 9.47 -8.77 -0.37 0
104311 50104001 1 ClO4N5C34H40 AB4C5D34E40 -149.24 6.33 -8.54 -0.5 0
104312 50104004 1 ClO4N5C33H38 AB4C5D33E38 -137.88 4.1 -8.95 -0.64 0
104313 50104006 1 Cl2O4N5C28H35 A2B4C5D28E35 -174.24 8.1 -9.25 -0.62 0
104314 50104008 1 F2O4N5C28H35 A2B4C5D28E35 -249.01 3.89 -8.86 -0.37 0
104315 50104009 1 O5N6C30H40 A5B6C30D40 -200.63 3.04 -9.08 -0.51 0
104316 50104011 1 FO5N6C36H43 AB5C6D36E43 -227.69 10.95 -8.8 -0.75 0
104317 50104012 1 F2O5N6C35H40 A2B5C6D35E40 -261.9 7.25 -9.01 -0.85 0
104318 50104016 1 O5N6C34H46 A5B6C34D46 -219.53 7.17 -8.68 -0.5 0
104319 50104018 1 O5N6C36H50 A5B6C36D50 -223.84 6.64 -8.85 -0.6 0
104320 50104021 1 F2O5N6C42H46 A2B5C6D42E46 -243.03 6.59 -8.8 -0.52 0
104321 50104022 1 F2O5N6C43H48 A2B5C6D43E48 -260.68 3.19 -8.8 -0.63 0
104322 50104024 1 ClFO5N6C37H44 ABC5D6E37F44 -229.25 11.75 -8.7 -0.54 0
104323 50104027 1 ClFO5N6C38H46 ABC5D6E38F46 -242.45 2.05 -8.96 -0.63 0
104324 50104028 1 ClFO5N6C39H48 ABC5D6E39F48 -247.69 9.05 -8.85 -0.61 0
104325 50104029 1 ClFO5N6C39H46 ABC5D6E39F46 -230.38 7.34 -8.76 -0.74 0
104326 50104031 1 FO5N6C42H47 AB5C6D42E47 -198.64 8.8 -8.64 -0.41 0
104327 50104036 1 F2O5N6C41H44 A2B5C6D41E44 -242.36 8.81 -8.44 -0.68 0
104328 50104037 1 F2O5N6C41H44 A2B5C6D41E44 -238.37 9.85 -8.73 -0.88 0
104329 50104038 1 FN6O6C42H47 AB6C6D42E47 -233.5 4.22 -8.22 -0.72 0
104330 50104039 1 FN6O6C42H47 AB6C6D42E47 -234.5 3.85 -8.21 -0.52 0
104331 50104048 1 FCl2O4N5C34H36 AB2C4D5E34F36 -185.81 8.15 -8.99 -0.64 0
104332 50104055 1 ClO5N6C32H35 AB5C6D32E35 -170.5 8.26 -8.66 -0.77 0
104333 50104056 1 FO5N6C33H37 AB5C6D33E37 -215.62 3.42 -9.12 -0.55 0
104334 50104058 2 N3O3C16H18 A3B3C16D18 -197.29 7.83 -8.76 -0.41 0
104335 50104061 1 FN6O6C32H35 AB6C6D32E35 -241.99 11.47 -8.77 -0.48 0
104336 50104064 1 FO5N6C32H35 AB5C6D32E35 -212.13 5.77 -8.85 -0.44 0
104337 50104069 1 O4N5C27H35 A4B5C27D35 -165.76 4.5 -8.41 -0.49 0
104338 50104070 1 ClO4N5C30H40 AB4C5D30E40 -182.82 8.24 -8.64 -0.44 0
104339 50104074 1 F3O4N5C28H34 A3B4C5D28E34 -287.35 5.33 -8.95 -0.82 0
104340 50104075 1 FO5N6C35H41 AB5C6D35E41 -225.14 11.72 -8.85 -0.71 0
104341 50104076 1 FO5N6C36H43 AB5C6D36E43 -233.78 5.23 -8.67 -0.58 0
104342 50104078 1 FO5N6C35H41 AB5C6D35E41 -219.92 12.04 -9.04 -0.69 0
104343 50104079 1 F2O5N6C35H40 A2B5C6D35E40 -262.39 10.3 -9.04 -0.83 0
104344 50104081 1 FO5N6C36H43 AB5C6D36E43 -228.54 3.86 -8.87 -0.88 0
104345 50104084 1 O5N6C36H50 A5B6C36D50 -230.94 10.67 -8.92 -0.32 0
104346 50104085 1 O5N6C33H46 A5B6C33D46 -228.37 6.85 -8.98 -0.36 0
104347 50104089 1 FO5N6C36H43 AB5C6D36E43 -227.12 11.49 -8.73 -0.9 0
104348 50104090 1 F2O5N6C35H40 A2B5C6D35E40 -267.84 9.58 -8.81 -1.16 0
104349 50104091 1 F2O5N6C35H40 A2B5C6D35E40 -260.96 7.34 -8.74 -0.8 0
104350 50104094 1 ClFO5N6C40H48 ABC5D6E40F48 -243.22 6.71 -8.78 -0.62 0
104351 50104096 1 ClFO5N6C39H48 ABC5D6E39F48 -247.58 10.9 -8.88 -0.57 0
104352 50104097 1 ClFO5N6C36H42 ABC5D6E36F42 -226.49 8.8 -8.74 -0.75 0
104353 50104102 1 ClFO5N6C37H44 ABC5D6E37F44 -226.26 3.86 -8.94 -0.62 0
104354 50104103 1 FO5N6C37H45 AB5C6D37E45 -229.14 6.25 -8.83 -0.4 0
104355 50104104 1 ClFO5N6C41H44 ABC5D6E41F44 -202.78 3.58 -8.48 -0.76 0
104356 50104105 1 FO5N6C39H49 AB5C6D39E49 -242.42 5.62 -8.2 -0.62 0
104357 50104116 1 FO4N5C36H42 AB4C5D36E42 -186.39 6.8 -8.43 -0.58 0
104358 50104117 1 BrFO4N5C36H41 ABC4D5E36F41 -185.38 8.49 -8.73 -0.48 0
104359 50104127 1 O5N6C27H34 A5B6C27D34 -196.32 6.23 -8.9 -0.38 0
104360 50104128 1 ClO5N6C27H33 AB5C6D27E33 -202.41 5.67 -8.97 -0.56 0
104361 50104129 1 ClO4N5C26H32 AB4C5D26E32 -170.68 7.1 -8.78 -0.44 0
104362 50104130 1 O4N5C27H35 A4B5C27D35 -163.47 4.43 -8.7 -0.46 0
104363 50104134 1 O4N5C31H43 A4B5C31D43 -177.85 8.41 -8.76 -0.16 0
104364 50104135 1 BrFO4N5C28H35 ABC4D5E28F35 -193.97 7.44 -8.86 -0.88 0
104365 50104140 1 O5N6C36H50 A5B6C36D50 -230.82 7.09 -8.91 -0.3 0
104366 50104141 2 N3O3C17H23 A3B3C17D23 -246.3 6.5 -8.98 -0.5 0
104367 50104148 1 O5N6C36H44 A5B6C36D44 -186.0 6.8 -8.8 -0.82 0
104368 50104149 1 FO5N6C35H41 AB5C6D35E41 -224.68 7.74 -8.96 -1.03 0
104369 50104152 1 FO5N6C36H43 AB5C6D36E43 -236.23 10.44 -8.77 -1.0 0
104370 50104153 1 ClO5N6C31H41 AB5C6D31E41 -211.62 4.6 -9.02 -0.65 0
104371 50104154 1 ClFO5N6C38H46 ABC5D6E38F46 -242.22 9.76 -8.76 -0.68 0
104372 50104155 1 ClFO5N6C41H50 ABC5D6E41F50 -238.44 4.84 -9.09 -0.72 0
104373 50104157 1 ClFO5N6C39H48 ABC5D6E39F48 -244.31 6.64 -8.96 -0.84 0
104374 50104158 1 ClFO5N6C39H46 ABC5D6E39F46 -226.73 1.46 -8.91 -0.66 0
104375 50104164 1 ClFO5N6C39H48 ABC5D6E39F48 -245.02 7.06 -8.95 -0.65 0
104376 50104166 1 F2O5N6C42H46 A2B5C6D42E46 -247.47 6.09 -8.25 -0.8 0
104377 50104167 1 F2O5N6C42H46 A2B5C6D42E46 -246.62 11.89 -8.62 -0.89 0
104378 50104169 1 FN6O6C43H49 AB6C6D43E49 -243.77 8.29 -8.13 -0.41 0
104379 50104170 1 ClFO5N6C42H46 ABC5D6E42F46 -203.18 6.13 -8.87 -0.76 0
104380 50104171 1 FO5N6C39H49 AB5C6D39E49 -245.58 11.98 -8.81 -0.37 0
104381 50104172 1 FO5N6C38H47 AB5C6D38E47 -242.36 5.03 -8.89 -0.29 0