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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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22353 596905 1 N2O2S2C11H14 A2B2C2D11E14 -49.73 2.29 -8.46 -0.62 0
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22354 596906 1 ClSF3N3H7C10 ABC3D3E7F10 -92.94 6.16 -9.5 -1.47 0
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22355 596910 1 N3O4C21H33 A3B4C21D33 -134.46 4.59 -9.81 -1.62 0
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22356 596915 1 N3O4C13H17 A3B4C13D17 -95.71 5.55 -9.72 -1.6 0
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22357 596920 1 N3O5C13H15 A3B5C13D15 -116.57 4.4 -9.56 -1.69 0
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22358 596921 1 N3O4H13C15 A3B4C13D15 -50.84 3.74 -9.01 -1.74 0
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22359 596923 1 O2C13H20 A2B13C20 -110.26 4.28 -9.73 0.54 0
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22360 596938 1 NO6C13H15 AB6C13D15 -242.39 7.66 -9.81 -1.09 0
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22361 596941 1 O2H10C15 A2B10C15 -0.26 6.39 -9.38 -1.28 0
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22362 596948 4 OC3H4 AB3C4 -175.52 3.81 -10.78 -1.22 0
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22363 596952 1 SO2H14C16 AB2C14D16 -34.39 3.04 -9.35 -0.62 0
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22364 596982 1 SN2O3C11H12 AB2C3D11E12 -81.68 1.23 -8.69 -0.68 0
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22365 597011 1 SnC22H48 AB22C48 -91.63 0.28 -9.51 1.0 0
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22367 597013 1 N2O3H14C16 A2B3C14D16 -36.84 3.89 -8.89 -0.81 0
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22368 597020 1 ClNOSH14C15 ABCDE14F15 -18.54 5.31 -8.98 -0.96 0
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22369 597025 1 NSO2C17H17 ABC2D17E17 -51.16 7.46 -9.06 -0.99 0
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22370 597026 1 NSO2C17H17 ABC2D17E17 -49.89 6.88 -8.97 -0.98 0
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22371 597027 1 NiH20C24 AB20C24 212.88 7.16 -6.91 -0.71 -6
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22372 597029 1 O7C19H22 A7B19C22 -225.44 2.61 -8.28 -0.03 0
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22373 597036 1 SN2O2C17H18 AB2C2D17E18 -58.79 4.92 -8.27 -0.72 0
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22374 597037 2 ON2H7C10 AB2C7D10 133.81 2.6 -9.21 -1.75 0
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22375 597050 1 NSO2H19C21 ABC2D19E21 -15.7 4.94 -8.49 -0.86 0
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22376 597052 1 N2S2O3H16C18 A2B2C3D16E18 -57.08 2.56 -8.54 -1.07 0
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22377 597067 1 ON4C7H10 AB4C7D10 43.8 2.32 -9.67 -0.43 0
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22378 597070 1 NF3O3C11H16 AB3C3D11E16 -303.82 5.64 -10.12 -0.12 0
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22379 597071 1 O3C13H18 A3B13C18 -144.31 3.79 -9.86 0.4 0
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22380 597087 1 SO4C16H20 AB4C16D20 -147.21 5.73 -9.4 -0.69 0
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22381 597088 1 NSO3C9H9 ABC3D9E9 -82.03 8.28 -8.1 -1.04 0
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22382 597089 1 NSO3C9H10 ABC3D9E10 -94.38 5.1 0.0 0.0 1
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22383 597090 1 ClN3O3H8C9 AB3C3D8E9 8.18 2.5 -10.52 -2.04 0
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22384 597099 1 ClON2F3H16C18 ABC2D3E16F18 -156.44 1.56 -8.6 -1.14 0
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22385 597101 2 C12H23 A12B23 -95.37 0.06 -9.86 3.97 0
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22386 597102 1 N2O4F6C13H18 A2B4C6D13E18 -508.31 2.16 -10.9 -0.45 0
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22387 597103 1 N2O3C18H32 A2B3C18D32 -189.9 4.27 -8.86 0.44 0
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22388 597105 1 N2O2F3C17H21 A2B2C3D17E21 -227.71 6.76 -9.38 -0.02 0
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22389 597107 1 NO3C12H19 AB3C12D19 -94.1 1.67 -8.09 0.2 0
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22390 597113 1 NF3O3C11H16 AB3C3D11E16 -300.67 6.62 -10.17 -0.09 0
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22391 597121 1 NSiC13H25 ABC13D25 -79.0 1.02 -8.72 1.59 0
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22392 597123 1 O4C11H16 A4B11C16 -187.51 2.57 -10.15 0.08 0
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22393 597127 2 ON3C5H8 AB3C5D8 -22.98 4.06 -9.36 -1.28 0
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22394 597128 1 OC14H26 AB14C26 -81.89 3.35 -9.98 0.53 0
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22395 597135 1 ClN3O5H12C13 AB3C5D12E13 -99.52 5.41 -9.87 -1.35 0
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22396 597137 1 N3O5C24H25 A3B5C24D25 -99.93 7.36 -9.11 -0.53 0
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22397 597149 1 SN4C6H6 AB4C6D6 76.35 4.14 -8.45 -0.6 0
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22398 597151 1 OC20H34 AB20C34 -96.71 1.51 -8.99 1.42 0
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22399 597152 1 O2N3C9H13 A2B3C9D13 -52.09 2.5 -9.39 0.14 0
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22400 597153 1 OSN2H6C7 ABC2D6E7 27.29 5.65 -9.44 -1.33 0
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22401 597155 1 O3C20H30 A3B20C30 -150.34 2.61 -8.53 0.11 0
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22402 597156 1 O3C19H28 A3B19C28 -145.64 0.58 -8.5 0.12 0
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22403 597157 1 O5C20H26 A5B20C26 -196.66 4.26 -8.61 -0.18 0
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22404 597158 1 ClFOSN3H13C14 ABCDE3F13G14 4.33 2.83 -8.58 -0.54 0
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22405 597159 1 NiC13H18 AB13C18 120.24 3.04 -8.03 0.04 -6
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22406 597160 1 O2N3C8H11 A2B3C8D11 -69.87 6.75 -10.64 -0.24 0
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22407 597161 1 NSiC4H4F9 ABC4D4E9 -603.08 1.18 -11.18 -0.84 0
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22408 597162 1 ClSN2C14H17 ABC2D14E17 28.58 5.78 -8.82 -0.07 0
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22409 597163 2 NOC8H13 ABC8D13 -84.49 1.71 -9.62 1.03 0
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22410 597164 1 O3C9H10 A3B9C10 -113.15 8.07 -9.64 -0.59 0
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22411 597165 1 NO4C9H11 AB4C9D11 -64.74 6.6 -10.48 -1.45 0
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22412 597166 2 NOC4H5 ABC4D5 -6.0 6.9 -8.99 -0.88 0
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22413 597167 1 N2O5C10H12 A2B5C10D12 -108.59 7.37 -10.22 -1.68 0
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22414 597170 1 NO2S2C9H9 AB2C2D9E9 39.21 4.72 -9.22 -1.78 0
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22415 597171 2 NOC4H5 ABC4D5 -72.9 6.22 -8.55 -0.3 0
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22416 597172 2 NOC4H5 ABC4D5 -41.45 7.17 -9.49 -0.7 0
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22417 597174 1 NO3C14H21 AB3C14D21 -106.33 8.18 -10.1 -1.43 0
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22418 597175 1 O4C11H16 A4B11C16 -194.89 3.13 -10.8 0.25 0
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22419 597176 2 O2C6H9 A2B6C9 -195.99 3.82 -10.56 0.37 0
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22420 597177 1 OC15H26 AB15C26 -102.63 1.98 -10.07 3.0 0
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22422 597179 1 SC10H14 AB10C14 1.95 1.09 -8.3 0.13 0
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22423 597180 1 SC10H14 AB10C14 1.06 2.27 -8.48 0.03 0
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22424 597181 1 SC10H14 AB10C14 1.19 2.27 -8.51 -0.01 0
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22425 597182 1 NO4C11H15 AB4C11D15 -140.03 4.81 -8.39 0.13 0
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22426 597183 1 FN2O4H11C14 AB2C4D11E14 -61.55 0.81 -9.17 -2.05 0
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22427 597184 1 ClNOC10H12 ABCD10E12 -34.95 3.18 -9.36 -0.02 0
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22428 597185 1 NO4C29H43 AB4C29D43 -173.23 6.23 -8.21 0.29 0
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22429 597186 1 N2F3O4C14H19 A2B3C4D14E19 -336.94 7.2 -9.92 -0.04 0
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22430 597187 1 ClNO5H8C13 ABC5D8E13 -83.62 4.15 -10.0 -1.65 0
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22431 597188 1 ClNSi2C5H16 ABC2D5E16 -134.78 2.25 -9.51 0.79 0
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22432 597189 1 ClC10H11 AB10C11 14.06 2.02 -9.24 -0.23 0
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22433 597190 1 ClNSO2C9H10 ABCD2E9F10 -65.53 3.08 -9.62 -0.49 0
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22434 597191 1 N2O2C21H30 A2B2C21D30 -107.22 4.95 -9.21 -0.06 0
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22435 597192 1 SN2C8H10 AB2C8D10 34.18 2.56 -9.34 -0.57 0
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22436 597193 2 ON2C3H3 AB2C3D3 -35.62 7.88 -9.13 -0.9 0
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22437 597194 2 ON2C3H3 AB2C3D3 -42.44 4.74 -8.93 -1.08 0
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22438 597195 1 ON4C7H10 AB4C7D10 -14.7 2.94 -9.22 -0.27 0
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22439 597196 1 ON2F3C5H5 AB2C3D5E5 -176.54 4.91 -10.25 -0.37 0
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22440 597197 2 NOC4H5 ABC4D5 -37.96 7.02 -9.62 -0.81 0
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22441 597198 1 NOC10H17 ABC10D17 -60.03 2.73 -9.07 0.54 0
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22442 597199 1 NO3C9H13 AB3C9D13 -108.44 3.1 -9.47 -0.53 0
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22443 597200 1 BNOC12H24 ABCD12E24 -137.87 3.03 -8.64 1.99 0
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22444 597201 4 OC3H4 AB3C4 -189.88 4.03 -10.86 -0.8 0
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22445 597205 1 O5H14C17 A5B14C17 -164.13 1.48 -9.48 -0.87 0
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22446 597206 1 N4O5C16H20 A4B5C16D20 -141.61 4.1 -8.52 -0.68 0
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22447 597207 2 O3C8H8 A3B8C8 -214.8 2.38 -8.7 -0.07 0
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22448 597209 1 N4H6C11 A4B6C11 133.4 3.63 -9.14 -1.06 0
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22449 597216 1 O3C9H10 A3B9C10 -112.91 5.97 -9.5 -0.44 0
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22450 597218 2 O2C7H9 A2B7C9 -170.02 2.91 -9.07 -0.09 0
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22451 597228 1 BrNOSC4H4 ABCDE4F4 -0.14 3.03 -9.54 -0.96 0
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22452 597229 2 OC8H13 AB8C13 -103.78 1.28 -8.67 0.55 0
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22453 597232 1 ClOSN5C10H10 ABCD5E10F10 45.32 4.63 -9.65 -1.27 0
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22454 597253 1 ClNOC16H16 ABCD16E16 -7.06 3.46 -9.39 -0.08 0