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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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19231 558614 1 O2C13H24 A2B13C24 -141.49 1.41 -10.38 0.96 0
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19232 558650 2 O2N3C10H12 A2B3C10D12 -132.73 8.03 -9.57 -0.21 0
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19233 558659 1 O2N3C10H11 A2B3C10D11 -47.59 7.48 -10.01 -0.33 0
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19234 558674 1 NO3C12H23 AB3C12D23 -170.36 5.09 -9.8 1.28 0
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19235 558730 1 ON2C12H16 AB2C12D16 -33.08 3.24 -8.67 0.05 0
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19236 558731 2 NOC11H13 ABC11D13 -70.3 4.52 -8.73 0.17 0
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19237 558734 1 BrNOC10H18 ABCD10E18 -82.75 6.26 -9.85 -0.13 0
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19238 558746 1 N2O5C7H10 A2B5C7D10 -218.02 4.53 -10.47 -0.66 0
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19239 558747 1 ON2C15H20 AB2C15D20 18.4 3.17 -9.2 0.31 0
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19240 558758 1 ClO2N3C20H22 AB2C3D20E22 -47.58 4.34 -8.87 -0.91 0
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19241 558769 1 NO3C8H13 AB3C8D13 -149.28 4.03 -9.87 0.46 0
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19242 558776 1 O3N6C16H24 A3B6C16D24 -86.07 3.22 -8.87 -0.62 0
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19243 558780 1 NO3C10H17 AB3C10D17 -138.05 4.31 -9.86 0.45 0
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19244 558783 1 NOC13H27 ABC13D27 -81.86 2.62 -8.59 2.27 0
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19245 558873 1 InC4H11 AB4C11 35.42 0.64 -9.77 2.04 0
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19246 558900 1 SO2C8H12 AB2C8D12 -100.59 1.91 -8.95 0.18 0
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19247 558939 1 N4O5C11H14 A4B5C11D14 -24.81 10.53 -9.57 -1.67 0
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19248 558940 1 O3C11H16 A3B11C16 -107.19 1.47 -9.41 0.36 0
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19249 558996 2 NC4H8 AB4C8 28.17 1.87 -8.49 1.05 0
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19250 559007 1 OC7H14 AB7C14 -55.36 0.48 -8.76 1.48 0
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19251 559097 1 OC8H16 AB8C16 -86.36 2.29 -10.18 2.95 0
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19252 559100 1 O2C9H16 A2B9C16 -91.05 2.84 -9.57 0.74 0
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19253 559120 1 SO5C15H30 AB5C15D30 -270.71 4.35 -9.12 0.19 0
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19254 559123 1 O5C14H20 A5B14C20 -166.13 7.0 -10.03 0.5 0
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19255 559170 1 NO2C8H17 AB2C8D17 -122.7 5.74 -9.91 0.9 0
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19256 559193 1 SN2C16H20 AB2C16D20 42.69 1.9 -8.54 -0.61 0
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19257 559194 1 O5C23H34 A5B23C34 -254.91 5.4 -10.14 -0.63 0
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19258 559312 1 NO3C12H23 AB3C12D23 -178.34 2.13 -10.0 0.54 0
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19259 559325 1 O2N4C19H30 A2B4C19D30 -41.06 5.86 -7.96 -0.66 0
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19260 559402 1 SN2O4C14H18 AB2C4D14E18 -138.98 9.73 -9.04 -0.66 0
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19261 559438 1 NOC14H29 ABC14D29 -102.31 4.1 -9.22 1.43 0
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19262 559506 1 Cl2N7C18H25 A2B7C18D25 47.24 7.03 -8.72 -0.51 0
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19263 559520 1 N2O2C11H20 A2B2C11D20 -109.35 1.86 -8.63 0.05 0
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19264 559521 1 OF3N3C20H20 AB3C3D20E20 -126.34 6.96 -9.07 -1.14 0
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19265 559547 1 S2N4O5C18H34 A2B4C5D18E34 -163.7 5.29 -8.72 -0.02 0
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19266 559558 1 OC16H30 AB16C30 -78.35 2.08 -9.38 1.32 0
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19267 559612 1 PC10H17 AB10C17 10.5 1.63 -9.24 1.2 0
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19268 559628 1 NPC18H36 ABC18D36 -65.53 2.14 -8.2 2.7 0
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19269 559629 1 N3C21H23 A3B21C23 66.42 5.07 -8.46 -0.64 0
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19270 559683 1 NPSO2C12H28 ABCD2E12F28 -184.68 4.78 -8.72 0.07 0
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19271 559718 1 NPSO2C16H36 ABCD2E16F36 -204.95 2.09 -8.66 0.03 0
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19272 559746 1 FO2N3C20H36 AB2C3D20E36 -117.7 4.39 -8.04 0.02 0
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19273 559747 2 ON2C16H21 AB2C16D21 1.79 4.62 -8.01 -0.74 0
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19274 559809 1 NO3C9H17 AB3C9D17 -162.84 1.89 -10.06 0.46 0
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19275 559812 1 NSiO3C11H23 ABC3D11E23 -220.76 1.69 -9.93 0.44 0
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19276 559815 1 N3O3C29H43 A3B3C29D43 -64.32 2.76 -8.1 -0.74 0
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19277 559816 2 NO2C9H17 AB2C9D17 -243.31 5.31 -9.84 0.36 0
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19278 559817 1 O4C23H40 A4B23C40 -230.05 3.53 -10.1 0.15 0
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19279 559818 1 N2S2C7H14 A2B2C7D14 -3.5 2.91 -8.62 -0.1 0
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19280 559820 1 ClOSN4C14H15 ABCD4E14F15 47.07 6.4 -9.58 -0.94 0
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19281 559821 1 BrOSN2C12H15 ABCD2E12F15 -3.83 2.2 -8.81 -0.53 0
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19282 559838 1 SN2F3O4C8H15 AB2C3D4E8F15 -336.54 3.45 -9.97 -1.35 0
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19283 559839 1 ON2C7H18 AB2C7D18 -26.04 1.34 -8.51 1.56 0
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19284 559851 1 INC8H21 ABC8D21 4.76 0.94 0.0 0.0 1
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19285 559868 1 ON2C17H28 AB2C17D28 -44.76 3.45 -8.45 0.11 0
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19286 559895 1 N5C17H23 A5B17C23 64.85 10.14 -8.37 -0.39 0
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19287 559906 2 NO2C5H6 AB2C5D6 -161.78 2.99 -10.06 -0.3 0
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19288 559942 1 SN2O5C12H14 AB2C5D12E14 -169.2 4.03 -9.45 -1.07 0
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19289 559944 1 F3N5C21H24 A3B5C21D24 -93.63 3.55 -8.64 -0.96 0
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19290 559952 1 SN3O4C15H19 AB3C4D15E19 -97.59 5.76 -9.37 -1.16 0
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19291 559956 1 N3O6C16H19 A3B6C16D19 -162.1 6.67 -9.77 -1.41 0
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19292 560118 2 NC4H10 AB4C10 -14.88 1.52 -8.41 2.38 0
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19293 560120 2 O3C5H10 A3B5C10 -268.29 4.22 -9.71 1.06 0
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19294 560122 1 Si8O9C16H46 A8B9C16D46 -1064.99 2.35 -9.44 0.74 0
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19295 560123 1 Si9O10C18H52 A9B10C18D52 -1186.66 2.29 -9.46 0.73 0
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19296 560145 3 O2C3H6 A2B3C6 -262.66 5.07 -9.84 1.33 0
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19297 560209 1 O3C18H34 A3B18C34 -202.95 4.25 -10.46 0.17 0
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19298 560276 1 O2C17H34 A2B17C34 -162.88 1.69 -10.55 0.87 0
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19299 560277 1 NO5C12H21 AB5C12D21 -255.05 6.54 -10.56 -0.28 0
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19300 560387 1 ON2S2H20C22 AB2C2D20E22 79.39 5.67 -8.56 -0.96 0
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19301 560423 1 O3C9H14 A3B9C14 -112.56 2.53 -9.99 0.59 0
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19302 560515 1 NSO2C6H11 ABC2D6E11 -74.5 5.57 -8.69 -0.57 0
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19303 560554 1 O2C21H40 A2B21C40 -156.86 2.01 -9.97 0.88 0
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19304 560599 1 O4C15H30 A4B15C30 -235.29 2.16 -10.3 0.86 0
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19305 560602 2 O2C7H12 A2B7C12 -189.13 4.14 -9.88 0.78 0
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19306 560651 1 SiN2O4C12H20 AB2C4D12E20 -172.46 1.36 -9.25 -0.46 0
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19307 560653 2 C3O3H5 A3B3C5 -264.21 3.4 -10.91 0.05 0
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19308 560733 1 SN3O6H17C21 AB3C6D17E21 -63.6 9.95 -9.64 -1.46 0
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19309 560734 6 OC2H4 AB2C4 -271.29 2.57 -9.71 1.37 0
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19310 560775 1 ON4F6H14C23 AB4C6D14E23 -222.48 1.88 -8.97 -1.81 0
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19311 560787 1 OSC6H12 ABC6D12 -45.95 5.14 -8.79 -0.42 0
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19312 560962 1 NSO4C10H13 ABC4D10E13 -143.81 5.59 -9.97 -0.42 0
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19313 560974 2 O4C13H15 A4B13C15 -320.29 5.33 -9.19 -0.78 0
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19314 560975 1 SN3O9C24H31 AB3C9D24E31 -373.97 10.03 -10.06 -0.7 0
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19315 561116 1 N2O3C19H20 A2B3C19D20 14.63 4.27 -8.26 -0.82 0
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19316 561153 2 NO2C8H10 AB2C8D10 -130.0 3.67 -9.6 -0.8 0
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19317 561162 1 NO8C23H33 AB8C23D33 -376.66 4.26 -9.63 -0.06 0
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19318 561196 1 ON4H12C14 AB4C12D14 91.31 1.15 -8.8 -0.97 0
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19319 561226 1 PCl2C7H7 AB2C7D7 -39.9 2.13 -9.49 -0.09 0
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19320 561233 1 N2O2H8C9 A2B2C8D9 17.82 7.23 -9.33 -0.81 0
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19321 561267 1 BrSN2O3H15C20 ABC2D3E15F20 -32.09 3.97 -8.67 -1.43 0
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19322 561272 1 NSCl3O3H8C12 ABC3D3E8F12 -85.12 3.97 -9.45 -1.16 0
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19323 561331 1 FO2H11C14 AB2C11D14 -57.82 3.32 -9.4 -1.02 0
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19324 561351 3 OH6C7 AB6C7 -31.9 3.02 -8.99 -0.74 0
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19325 561366 1 O2C11H12 A2B11C12 -45.36 3.72 -9.7 -0.27 0
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19326 561422 1 BrN2O3H23C28 AB2C3D23E28 17.69 7.79 -8.58 -0.61 0
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19327 561430 1 ClN4H11C14 AB4C11D14 102.97 7.96 -9.31 -1.26 0
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19328 561456 1 FO3H13C15 AB3C13D15 -100.63 4.18 -8.94 -0.84 0
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19329 561521 1 C21H26 A21B26 30.53 0.53 -9.2 0.4 0
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19330 561628 1 N5C10H13 A5B10C13 98.76 7.33 -9.43 -0.77 0