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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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305272 124767855 1 O3C22H32 A3B22C32 -156.65 3.94 -9.85 -0.27 0
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305275 124767947 1 NO4C26H30 AB4C26D30 -89.6 3.91 0.0 0.0 1
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305276 124767948 1 NO4C26H30 AB4C26D30 -85.92 3.84 0.0 0.0 1
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305277 124767949 1 NO4C26H30 AB4C26D30 -72.02 1.53 0.0 0.0 1
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305278 124767950 1 NO4C26H30 AB4C26D30 -87.34 4.49 0.0 0.0 0
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305279 124767951 1 N2O3H18C22 A2B3C18D22 41.85 4.36 -9.05 -1.27 0
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305286 124767959 2 OC10H15 AB10C15 -122.84 2.03 -9.41 0.36 0
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305287 124767960 1 SN2O3H30C31 AB2C3D30E31 -55.81 4.55 -8.82 -0.63 0
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305297 124767970 1 N4O7C9H10 A4B7C9D10 -140.74 6.13 -10.07 -1.65 0
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305300 124767973 1 SCl2N2O3C20H20 AB2C2D3E20F20 -81.04 4.27 -9.06 -0.81 0
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305301 124767974 1 SCl2N2O3C20H20 AB2C2D3E20F20 -90.71 2.73 -8.68 -0.61 0
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305305 124767978 1 NO3C17H19 AB3C17D19 -91.28 7.34 -9.04 -0.29 0
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305306 124767979 1 ClN2S2O5C27H27 AB2C2D5E27F27 -156.34 5.48 -8.84 -1.0 0
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305307 124767981 1 NO5H13C14 AB5C13D14 -151.4 6.52 -9.12 -0.55 0
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305308 124767982 1 NO5H13C14 AB5C13D14 -148.93 4.08 -8.82 -0.35 0
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305311 124767985 1 N2O7C23H28 A2B7C23D28 -83.22 7.18 -8.74 -1.29 0
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305316 124767990 1 N2O2S2F3C19H21 A2B2C2D3E19F21 -222.27 6.75 -8.9 -0.96 0
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305317 124767991 1 N2O2S2F3C19H21 A2B2C2D3E19F21 -222.96 5.28 -8.86 -1.02 0
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305320 124767994 1 ClSN2O3H25C29 ABC2D3E25F29 -52.11 3.76 -8.92 -0.65 0
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305321 124767995 1 N2O3C14H14 A2B3C14D14 -66.41 5.09 -9.78 -0.46 0
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305325 124767999 1 O3C25H30 A3B25C30 -111.09 3.5 -9.57 -0.63 0
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305333 124768008 1 ClO3N6H31C34 AB3C6D31E34 67.42 5.66 -8.88 -0.78 0
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305334 124768009 1 ClO3N6H31C34 AB3C6D31E34 59.77 9.02 -9.16 -0.64 0
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305336 124768011 1 NSO5C23H23 ABC5D23E23 -140.39 7.24 -9.19 -1.0 0
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305337 124768012 1 NSO5C23H23 ABC5D23E23 -147.45 6.06 -8.95 -1.05 0
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305339 124768014 1 NF6O7C19H21 AB6C7D19E21 -615.84 5.53 -9.44 -0.31 0
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305340 124768015 1 NF6O7C19H21 AB6C7D19E21 -607.36 5.35 -9.54 -0.2 0
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305345 124771950 1 SN3O3C20H25 AB3C3D20E25 -87.65 9.19 -9.55 -0.96 0
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305346 124771952 1 N3O6C18H19 A3B6C18D19 -115.49 8.37 -9.51 -1.19 0
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305347 124771958 1 O2N3C24H27 A2B3C24D27 -46.45 1.11 -9.04 -0.27 0
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305348 124771969 1 FN2O4H23C27 AB2C4D23E27 -140.44 4.2 -9.36 -0.47 0
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305349 124772001 1 SO2N4C25H32 AB2C4D25E32 -27.52 3.02 -8.44 -0.72 0
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305351 124772043 1 SN3O5C27H37 AB3C5D27E37 -157.64 7.72 -9.07 -1.02 0
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305352 124772044 1 SO2N5C18H27 AB2C5D18E27 -67.67 5.99 -8.21 -0.3 0
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305353 124772051 1 OSN3C24H25 ABC3D24E25 23.94 3.39 -8.72 -1.23 0
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305354 124772052 1 OSN3C24H25 ABC3D24E25 23.94 6.14 -8.74 -1.16 0
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305355 124772053 1 SN3O5C21H21 AB3C5D21E21 -50.95 7.6 -9.45 -2.21 0
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305356 124772058 1 SO2N4C25H30 AB2C4D25E30 -29.77 3.19 -8.64 -0.76 0
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305357 124772072 1 SN3O3C22H31 AB3C3D22E31 -108.63 6.8 -8.49 -0.54 0
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305358 124772079 1 N3O3C27H29 A3B3C27D29 -71.43 6.49 -8.56 -0.34 0
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305359 124772138 1 N2O4C19H28 A2B4C19D28 -190.52 4.97 -8.84 -0.66 0
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305360 124772162 1 FNO3C18H24 ABC3D18E24 -189.1 4.54 -9.6 -0.1 0
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305362 124772191 1 SO2N3C19H25 AB2C3D19E25 -80.25 2.72 -9.23 -1.08 0
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305363 124772203 1 N4O4H16C17 A4B4C16D17 58.85 10.34 -9.48 -1.63 0
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305366 124772278 1 ClSN2O2C21H27 ABC2D2E21F27 -57.04 4.87 -8.89 -0.84 0
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305367 124772303 1 BrN2S2O3C20H25 AB2C2D3E20F25 -85.15 4.02 -9.6 -1.25 0
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305368 124772308 1 SN4O4C22H36 AB4C4D22E36 -154.88 6.45 -8.57 -0.29 0
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305369 124772316 1 OSN3C22H31 ABC3D22E31 -45.72 3.41 -8.69 -0.69 0
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305370 124772325 1 OSN5C19H27 ABC5D19E27 12.16 12.01 -8.23 -0.42 0
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305371 124772352 1 FN3O3C24H26 AB3C3D24E26 -132.78 5.87 -9.44 -0.5 0
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305373 124772373 1 SN2O3C18H24 AB2C3D18E24 -70.91 5.78 -8.78 -0.62 0
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305374 124772404 1 S2N3O3C19H25 A2B3C3D19E25 -94.2 8.1 -9.15 -0.92 0
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305375 124807016 2 NO2C7H14 AB2C7D14 -203.94 2.3 -9.06 1.87 0
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305376 124807020 1 N3O3C17H25 A3B3C17D25 -102.7 2.75 -8.86 0.74 0
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305377 124807021 1 O2N4C15H24 A2B4C15D24 -46.96 3.56 -8.65 0.87 0
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305378 124807028 2 ON2C7H10 AB2C7D10 -42.14 3.71 -9.06 -0.24 0
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305382 124807059 1 ON2C19H28 AB2C19D28 -58.42 4.57 -8.52 0.29 0
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305383 124807062 1 ON5C16H17 AB5C16D17 35.33 5.68 -9.13 -0.35 0
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305384 124807066 1 ON5C16H23 AB5C16D23 -3.0 4.55 -8.76 0.0 0
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305385 124807070 1 FO2N4H17C18 AB2C4D17E18 -48.71 5.76 -9.97 -1.08 0
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305387 124807074 1 ClNO3C20H22 ABC3D20E22 -111.2 2.79 -9.4 -1.08 0
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305390 124807079 1 O2N3C21H29 A2B3C21D29 -65.84 2.84 -8.6 -0.08 0
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305391 124807082 1 ClON3C23H26 ABC3D23E26 2.56 3.49 -8.41 -0.3 0
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305392 124807083 1 O2N3C19H27 A2B3C19D27 -71.07 4.11 -9.42 -0.33 0
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305393 124807084 1 N3O4C20H23 A3B4C20D23 -90.99 2.89 -8.82 -0.6 0
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305395 124807105 1 ON4C23H36 AB4C23D36 -42.66 5.42 -8.65 0.06 0
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305396 124807106 1 OF3N5C28H34 AB3C5D28E34 -151.26 4.18 -8.76 -0.51 0
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305397 124807108 1 SO3N4C15H24 AB3C4D15E24 -61.04 6.62 -9.24 0.13 0
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305398 124807109 2 ON2C14H19 AB2C14D19 -47.72 5.92 -8.61 0.1 0
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305399 124807110 1 ON4C17H28 AB4C17D28 -20.28 3.17 -8.93 1.0 0
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305400 124807111 1 O3N5C17H25 A3B5C17D25 -81.28 3.8 -8.53 0.57 0
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305401 124807118 1 ON4C14H20 AB4C14D20 -3.45 6.17 -8.96 -0.67 0
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305402 124807119 1 O2N4C21H36 A2B4C21D36 -94.76 6.41 -8.82 0.93 0
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305403 124807136 1 SO2N4C18H24 AB2C4D18E24 -6.37 1.92 -9.05 -0.21 0
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305404 124807139 1 S2O3N4C14H20 A2B3C4D14E20 -52.8 6.69 -9.4 -0.46 0
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305405 124807146 1 SO2N4C18H24 AB2C4D18E24 -7.54 3.56 -9.38 -0.46 0
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305406 124807148 1 SO2N6C15H18 AB2C6D15E18 21.31 1.51 -9.0 -1.35 0
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305407 124807150 1 S2N3O3C14H19 A2B3C3D14E19 -63.18 6.82 -9.41 -0.51 0
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305408 124807152 1 ON4C20H32 AB4C20D32 -22.44 4.68 -8.26 0.1 0
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305409 124807160 1 SN4C19H20 AB4C19D20 105.97 2.5 -8.64 -0.59 0
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305410 124807161 1 SO2N5C18H25 AB2C5D18E25 -28.98 3.89 -8.95 -0.93 0
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305411 124807162 1 FN3C20H24 AB3C20D24 16.79 2.08 -8.16 -0.07 0
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305413 124807170 1 O2N4C19H22 A2B4C19D22 -6.1 9.63 -9.07 -0.48 0
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305414 124807171 1 S2N3O4C13H19 A2B3C4D13E19 -132.66 6.67 -9.36 -0.76 0
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305415 124807175 1 OSN3C15H23 ABC3D15E23 -36.46 5.96 -9.03 -0.55 0
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305416 124807176 1 OSN3C15H23 ABC3D15E23 -36.55 3.92 -9.06 -0.66 0
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305417 124807177 1 SN2O3C17H26 AB2C3D17E26 -106.82 5.0 -9.13 -0.15 0
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305418 124807183 1 N3O3C13H19 A3B3C13D19 -59.29 3.92 -8.96 -0.74 0
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305419 124807184 1 O2N3C21H23 A2B3C21D23 11.93 2.83 -8.91 -0.71 0
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305420 124807188 1 SO2N3C18H23 AB2C3D18E23 -26.02 1.09 -9.08 -0.3 0
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305421 124807189 1 N2O2C17H26 A2B2C17D26 -62.86 4.52 -8.7 0.44 0
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305422 124807192 1 O2N4C19H24 A2B4C19D24 -26.2 8.84 -8.9 -0.32 0
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305423 124807194 1 N3O3C23H31 A3B3C23D31 -88.57 5.14 -8.87 -0.8 0
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305424 124807197 1 ON4C23H28 AB4C23D28 3.1 1.41 -8.74 -0.1 0
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305425 124807198 1 ON4C23H28 AB4C23D28 -0.73 5.37 -8.51 -0.3 0
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305426 124807202 1 SN2O4C18H22 AB2C4D18E22 -104.59 3.7 -9.35 -0.5 0
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305427 124807203 1 SN2O4C18H22 AB2C4D18E22 -102.1 4.05 -9.33 -0.41 0
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305428 124807205 1 O3N4C20H22 A3B4C20D22 -30.68 5.71 -9.38 0.1 0
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305429 124807206 1 O2N5C19H21 A2B5C19D21 19.28 3.42 -8.67 -0.18 0
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305431 124807212 1 O14C27H32 A14B27C32 -567.03 3.96 -9.25 -0.39 0