List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
277150 103827049 1 BrClNO3C14H15 ABCD3E14F15 -119.79 5.85 -9.68 -0.66 0
277151 103827050 1 BrClON2C14H18 ABCD2E14F18 -28.26 5.9 -9.13 -0.75 0
277152 103827053 1 BrOCl2N3H6C11 ABC2D3E6F11 36.98 6.63 -9.7 -1.29 0
277153 103827056 1 BrClNO2C13H13 ABCD2E13F13 19.06 4.85 -9.82 -0.82 0
277154 103827063 1 BrClON2H12C13 ABCD2E12F13 3.6 4.02 -8.9 -1.13 0
277155 103827066 1 BrClO2N3C13H13 ABC2D3E13F13 -58.03 1.21 -9.58 -1.05 0
277156 103827068 1 BrClO2N3H9C11 ABC2D3E9F11 0.7 2.81 -10.04 -1.1 0
277157 103827069 1 BrClON2C12H16 ABCD2E12F16 -24.4 3.2 -8.94 -0.82 0
277158 103827072 1 BrClON2C16H16 ABCD2E16F16 -6.72 4.21 -9.7 -0.85 0
277159 103827074 1 BrClNSO3H13C14 ABCDE3F13G14 -64.99 4.22 -10.15 -1.07 0
277160 103827080 1 BrClFNOH10C14 ABCDEF10G14 -41.72 5.05 -9.3 -1.04 0
277161 103827095 1 BrClON3H7C11 ABCD3E7F11 41.96 6.35 -9.77 -1.2 0
277162 103827096 1 BrClON3H7C15 ABCD3E7F15 69.91 8.9 -9.88 -1.63 0
277163 103827097 1 BrClON2H10C15 ABCD2E10F15 28.44 5.45 -9.82 -0.99 0
277164 103827099 1 BrClNOF3H6C13 ABCDE3F6G13 -131.7 2.86 -9.65 -1.16 0
277165 103827104 1 BrClNO3C14H15 ABCD3E14F15 -118.43 3.5 -9.81 -0.94 0
277166 103827118 1 O2N3H15C16 A2B3C15D16 -40.03 3.64 -9.11 -0.77 0
277167 103827120 1 BrClFON2H7C14 ABCDE2F7G14 -9.48 4.55 -9.65 -1.44 0
277168 103827123 1 FN2O2C15H15 AB2C2D15E15 -85.3 5.18 -8.97 -0.59 0
277169 103827126 1 BrNO2C12H16 ABC2D12E16 -84.25 2.83 -8.85 -0.5 0
277170 103827133 1 OCl2N3H11C13 AB2C3D11E13 0.26 4.03 -9.36 -1.34 0
277171 103827135 1 BrClNO2C9H9 ABCD2E9F9 -71.57 2.1 -10.1 -1.09 0
277172 103827139 1 BrClON2H10C15 ABCD2E10F15 20.61 4.69 -8.39 -1.0 0
277173 103827146 1 BrClNO2C13H15 ABCD2E13F15 -92.27 4.54 -10.03 -0.97 0
277174 103827152 1 BrClON2H10C12 ABCD2E10F12 12.66 4.27 -10.13 -1.16 0
277175 103827162 1 BrClON2H12C13 ABCD2E12F13 -3.04 1.45 -10.12 -1.15 0
277176 103827163 1 BrClON3C14H15 ABCD3E14F15 0.85 4.59 -9.23 -1.1 0
277177 103827164 1 BrClON3H11C12 ABCD3E11F12 11.79 1.76 -9.62 -1.06 0
277178 103827166 1 BrClON2H10C11 ABCD2E10F11 -3.22 5.15 -10.17 -1.2 0
277179 103827173 1 BrClNO3C13H15 ABCD3E13F15 -119.85 4.38 -9.86 -0.92 0
277180 103827178 1 BrClO2N3C10H11 ABC2D3E10F11 -70.83 1.63 -9.92 -1.17 0
277181 103827179 1 BrClNO2C14H15 ABCD2E14F15 8.28 4.89 -9.84 -0.84 0
277182 103827183 1 BrClON3C13H13 ABCD3E13F13 12.95 4.83 -9.43 -1.05 0
277183 103827193 1 BrClNO3C13H15 ABCD3E13F15 -125.32 3.2 -9.99 -1.08 0
277184 103827194 1 BrClNO3C13H17 ABCD3E13F17 -128.74 4.5 -9.95 -0.9 0
277185 103827201 1 BrClON2H12C13 ABCD2E12F13 -7.05 4.05 -9.98 -0.99 0
277186 103827202 1 BrClNO2C12H13 ABCD2E12F13 -80.83 5.5 -9.73 -0.77 0
277187 103827203 1 BrClO2N3C14H17 ABC2D3E14F17 -65.22 4.17 -9.32 -0.96 0
277188 103827204 1 BrClON2H8C11 ABCD2E8F11 34.76 3.76 -8.95 -1.33 0
277189 103827216 1 BrClNSO2C12H15 ABCDE2F12G15 -80.94 4.29 -9.12 -0.86 0
277190 103827217 1 BrClNO2C12H13 ABCD2E12F13 -56.85 4.73 -10.03 -1.0 0
277191 103827235 1 BrClNO2H13C15 ABCD2E13F15 -52.63 2.99 -9.29 -0.96 0
277192 103827239 1 BrClNO2C12H15 ABCD2E12F15 -89.36 4.62 -9.95 -0.99 0
277193 103827244 1 O2N3C14H15 A2B3C14D15 -50.83 6.68 -8.67 -0.7 0
277194 103827249 1 BrClNO2H9C13 ABCD2E9F13 -40.25 3.8 -8.86 -1.02 0
277195 103827252 1 N2O3H14C15 A2B3C14D15 -88.93 4.79 -9.01 -0.36 0
277196 103827258 1 BrClON3H7C10 ABCD3E7F10 15.06 1.34 -9.1 -1.36 0
277197 103827262 1 BrClNO2H11C14 ABCD2E11F14 -49.32 2.65 -8.7 -1.08 0
277198 103827268 1 ON2C17H24 AB2C17D24 -12.13 5.13 -8.64 -0.36 0
277199 103827269 1 SN2O2C14H18 AB2C2D14E18 -64.6 3.18 -8.72 -0.24 0
277200 103827272 1 ClN2O2C9H11 AB2C2D9E11 -77.0 3.77 -8.86 -0.96 0
277201 103827278 1 ClN2O2C9H11 AB2C2D9E11 -73.4 3.81 -8.9 -1.02 0
277202 103827287 1 NO2C12H23 AB2C12D23 -131.5 4.43 -9.08 2.42 0
277203 103827290 2 NOC5H10 ABC5D10 -109.93 2.33 -9.13 0.97 0
277204 103827292 2 NOC7H9 ABC7D9 -45.24 6.61 -9.01 -0.3 0
277205 103827296 1 ON2C17H28 AB2C17D28 -56.85 3.55 -9.16 0.33 0
277206 103827297 1 NOC17H29 ABC17D29 -72.05 2.08 -8.94 0.34 0
277207 103827298 1 NOC16H27 ABC16D27 -66.91 3.49 -8.98 0.3 0
277208 103827299 1 ClNC13H18 ABC13D18 8.62 3.0 -9.13 0.23 0
277209 103827316 1 ON3C13H17 AB3C13D17 -0.45 4.16 -9.36 0.09 0
277210 103827320 2 NOC8H12 ABC8D12 -86.73 3.68 -9.35 0.18 0
277211 103827329 1 ClON2C17H19 ABC2D17E19 -17.68 6.62 -9.0 -0.17 0
277212 103827330 1 ON2C16H26 AB2C16D26 -57.3 3.64 -9.28 0.24 0
277213 103827334 1 ON2C18H22 AB2C18D22 -15.03 5.19 -8.6 0.11 0
277214 103827335 1 ON2C18H22 AB2C18D22 -16.56 4.17 -8.46 0.13 0
277215 103827338 1 OSN3C16H17 ABC3D16E17 22.71 8.32 -8.76 -0.8 0
277216 103827339 1 ON2C17H26 AB2C17D26 -45.59 3.76 -9.23 0.3 0
277217 103827340 1 ON2C16H24 AB2C16D24 -20.95 3.61 -8.94 0.59 0
277218 103827341 1 NO2C18H29 AB2C18D29 -100.85 2.48 -9.17 0.36 0
277219 103827342 1 NO2C15H25 AB2C15D25 -96.17 2.51 -9.13 0.39 0
277220 103827344 1 NO3C17H23 AB3C17D23 -87.43 2.16 -9.2 0.29 0
277221 103827345 1 NOF2C17H19 ABC2D17E19 -105.0 3.51 -9.3 -0.46 0
277222 103827347 1 NO2C16H25 AB2C16D25 -98.31 0.88 -9.13 0.4 0
277223 103827348 1 NSO2C17H23 ABC2D17E23 -50.7 2.07 -9.18 -0.26 0
277224 103827349 1 BrN2C15H17 AB2C15D17 47.79 3.38 -9.25 -0.54 0