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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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6301 67965 1 FNO2H6C7 ABC2D6E7 -36.85 4.64 -10.24 -1.56 0
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6302 67970 1 FOH5C7 ABC5D7 -50.84 3.24 -10.23 -0.98 0
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6303 67971 1 F3H5C8 A3B5C8 -101.35 2.19 -9.79 -0.51 0
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6304 67972 1 NF3H4C8 AB3C4D8 -103.98 5.78 -10.71 -1.33 0
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6305 67982 1 FNC7H8 ABC7D8 -33.66 3.15 -8.49 0.06 0
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6306 67992 1 FSO4H5C7 ABC4D5E7 -183.79 5.86 -11.2 -1.64 0
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6307 67999 1 FOH5C7 ABC5D7 -64.0 4.48 -10.42 -1.08 0
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6308 68003 1 O2N3H6C7 A2B3C6D7 67.53 2.75 0.0 0.0 1
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6309 68004 1 FOC9H9 ABC9D9 -69.13 2.64 -10.13 -0.7 0
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6310 68006 1 BO2N3F4H4C6 AB2C3D4E4F6 -237.53 4.45 -9.47 -1.64 0
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6311 68021 1 BrFH6C7 ABC6D7 -28.85 1.81 -9.67 -0.77 0
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6312 68025 1 ClFNOC4H7 ABCDE4F7 -108.77 0.73 -10.32 0.44 0
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6313 68034 1 FSC3O3H7 ABC3D3E7 -182.61 3.32 -11.27 0.02 0
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6314 68058 2 OH7C14 AB7C14 47.6 0.52 -8.93 -1.94 0
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6315 68066 1 O8H18C19 A8B18C19 -310.81 8.53 -9.1 -1.29 0
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6316 68067 2 NC5H5 AB5C5 37.47 1.78 -7.99 -0.16 0
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6317 68069 1 NC12H15 AB12C15 9.14 2.37 -7.72 0.74 0
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6318 68077 1 O7C20H20 A7B20C20 -190.69 3.61 -8.72 -0.77 0
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6319 68079 1 O5H10C13 A5B10C13 -123.7 8.37 -8.67 -1.08 0
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6320 68082 4 OH2C3 AB2C3 -98.93 5.85 -9.09 -0.94 0
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6321 68084 2 H7C8 A7B8 35.45 0.6 -8.55 -0.39 0
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6322 68085 1 NO2H9C12 AB2C9D12 -2.11 4.77 -8.71 -0.86 0
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6323 68092 1 NO2H7C10 AB2C7D10 -31.96 5.52 -9.69 -1.57 0
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6324 68093 1 O6H10C11 A6B10C11 -229.98 4.21 -9.68 -0.98 0
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6325 68096 4 OH3C4 AB3C4 -84.01 10.77 -8.68 -1.38 0
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6326 68097 1 N2O3C13H20 A2B3C13D20 -131.85 3.4 -8.74 -0.3 0
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6327 68098 1 NO4C8H9 AB4C8D9 -161.8 4.83 -10.92 -1.8 0
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6328 68099 1 O4H6C7 A4B6C7 -153.36 3.53 -9.76 -0.77 0
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6329 68100 1 Br2H2O3C4 A2B2C3D4 -83.16 2.47 -10.86 -2.0 0
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6330 68101 2 OBr2C3 AB2C3 -2.36 1.23 -10.66 -2.63 0
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6331 68110 1 O2H8C9 A2B8C9 -55.84 2.35 -9.33 -0.64 0
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6332 68122 1 N2C19H24 A2B19C24 46.26 2.41 -7.97 0.22 0
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6333 68126 1 O2C9H12 A2B9C12 -61.71 2.19 -8.22 0.34 0
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6334 68127 1 O2N3C15H19 A2B3C15D19 -23.81 3.2 -8.32 -0.05 0
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6335 68128 3 C5H8 A5B8 -10.67 1.53 -8.99 1.42 0
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6336 68129 1 O3H4C5 A3B4C5 -80.05 4.65 -9.53 -0.62 0
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6337 68130 1 O3H4C5 A3B4C5 -91.06 3.01 -9.43 -0.96 0
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6338 68131 1 N2O5H6C7 A2B5C6D7 -33.57 5.42 -10.35 -2.15 0
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6339 68132 1 SN2O2C7H10 AB2C2D7E10 -58.44 4.57 -9.26 -0.79 0
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6340 68138 1 O3C8H8 A3B8C8 -112.79 5.42 -9.65 -0.72 0
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6341 68144 1 NO3C10H11 AB3C10D11 -112.98 6.48 -10.04 -0.32 0
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6342 68158 2 OC3H5 AB3C5 -96.71 5.99 -10.02 0.53 0
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6343 68166 1 NOC19H43 ABC19D43 -105.6 3.96 -7.34 1.5 0
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6344 68172 1 AuCN ABC 126.17 4.27 -10.55 -2.23 0
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6345 68199 2 AsNO3C7H9 ABC3D7E9 -155.25 3.02 -8.85 -0.17 0
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6346 68201 1 BaC2O4 AB2C4 -232.88 12.25 -9.09 -1.78 0
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6347 68202 2 OH8C13 AB8C13 57.27 0.01 -7.55 -1.32 0
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6348 68213 1 O6H10C13 A6B10C13 -213.7 5.11 -8.99 -0.81 0
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6349 68273 1 O3H14C16 A3B14C16 -49.59 2.79 -8.69 -0.85 0
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6350 68286 2 NOC4H8 ABC4D8 -97.27 2.78 -8.95 0.73 0
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6351 68287 1 O2C11H16 A2B11C16 -95.52 2.0 -8.84 0.13 0
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6352 68288 1 SN2H6C7 AB2C6D7 48.75 3.25 -8.61 -0.53 0
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6353 68290 1 NOC9H19 ABC9D19 -82.61 4.12 -9.26 1.48 0
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6354 68291 1 NC8H9 AB8C9 22.1 3.37 -9.62 0.04 0
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6355 68294 1 NO2C3H9 AB2C3D9 -96.78 4.18 -9.78 2.05 0
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6356 68295 1 OI2C3H6 AB2C3D6 -29.1 2.14 -9.93 -1.34 0
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6357 68296 1 H2C3S3 A2B3C3 49.63 2.63 -8.74 -1.84 0
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6359 68308 1 N2C7H10 A2B7C10 31.17 1.52 -8.56 0.32 0
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6360 68310 1 NO4C11H13 AB4C11D13 -163.26 4.42 -9.25 -0.23 0
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6361 68311 1 ClNC12H12 ABC12D12 15.45 2.21 -8.36 -0.19 0
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6362 68312 1 ON3C8H11 AB3C8D11 -8.38 3.01 -8.91 0.16 0
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6363 68313 1 NOC10H15 ABC10D15 -28.15 1.11 -8.73 0.16 0
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6364 68314 1 ON2C9H14 AB2C9D14 -25.86 1.74 -8.32 -0.11 0
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6365 68315 2 NC4H6 AB4C6 22.97 0.65 -9.35 0.21 0
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6366 68317 2 CH3N5 AB3C5 171.53 2.48 -8.78 -1.08 0
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6367 68320 1 BrO2C5H9 AB2C5D9 -104.62 2.19 -10.77 -0.44 0
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6368 68324 1 O4C11H20 A4B11C20 -229.03 3.69 -10.75 0.66 0
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6369 68325 2 INO2C7H15 ABC2D7E15 -104.79 56.32 -5.88 -3.27 0
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6370 68326 1 BaC2H2O4 AB2C2D4 -283.11 4.94 -9.67 -1.46 0
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6371 68327 1 O3C4H4 A3B4C4 -99.04 2.92 -10.18 -0.43 0
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6372 68328 1 C5O5H6 A5B5C6 -215.4 3.63 -11.39 -0.69 0
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6373 68329 1 O3C7H12 A3B7C12 -153.76 4.05 -10.55 0.39 0
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6375 68333 3 OC3H6 AB3C6 -164.22 0.38 -11.06 0.23 0
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6376 68346 1 OC10H16 AB10C16 -40.3 3.0 -9.43 0.16 0
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6377 68347 4 OSiH10C12 ABC10D12 -241.35 0.06 -9.21 -0.03 0
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6378 68348 1 NaSC2O4H5 ABC2D4E5 -220.5 7.74 -10.32 0.29 0
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6379 68349 1 SN3O7C20H27 AB3C7D20E27 -266.27 8.57 -9.11 -0.64 0
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6380 68351 1 S2N3O4C12H13 A2B3C4D12E13 -106.36 9.01 -9.37 -0.64 0
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6381 68352 1 O2C5H6 A2B5C6 -68.77 5.16 -10.85 -0.37 0
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6382 68353 1 MgC2O4 AB2C4 -117.17 7.98 -10.05 -2.5 0
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6383 68362 2 O3H12C14 A3B12C14 -117.88 1.46 -9.12 -0.82 0
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6384 68363 1 NO5C23H27 AB5C23D27 -136.06 5.01 -8.38 -0.8 0
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6385 68365 2 N2O2H7C8 A2B2C7D8 -53.35 2.19 -8.8 -1.19 0
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6386 68376 1 NOH19C21 ABC19D21 26.14 3.79 -9.29 -0.32 0
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6387 68377 1 N2O4C11H14 A2B4C11D14 -84.01 10.88 -9.1 -1.14 0
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6388 68382 2 OH3C4 AB3C4 -51.16 4.17 -9.54 -0.31 0
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6389 68388 1 FeO6C54H105 AB6C54D105 -259.59 3.85 0.0 0.0 0
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6390 68389 1 NO3H9C10 AB3C9D10 -81.52 2.76 -9.2 -1.5 0
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6391 68464 1 O2H10C15 A2B10C15 -6.08 5.38 -9.51 -1.28 0
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6392 68466 1 ClNO2C11H14 ABC2D11E14 -96.9 4.73 -9.48 -0.86 0
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6393 68468 1 NPO2C9H14 ABC2D9E14 -102.45 6.31 -8.53 0.13 0
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6394 68471 1 BrC8H9 AB8C9 5.56 0.9 -9.37 0.08 0
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6395 68473 1 BrC9H11 AB9C11 -3.89 1.79 -9.09 0.25 0
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6396 68476 1 N2H8C9 A2B8C9 47.1 4.05 -8.71 -0.47 0
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6397 68490 2 OC4H4 AB4C4 -53.66 4.47 -10.29 -1.0 0
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6398 68495 1 NO2F3H6C9 AB2C3D6E9 -188.22 6.34 -10.77 -1.5 0
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6399 68498 1 FOC10H11 ABC10D11 -74.69 2.74 -10.15 -0.77 0
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6400 68499 1 N2O3C8H8 A2B3C8D8 -92.46 5.36 -10.51 -1.24 0
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6401 68502 1 BrO2H5C6 AB2C5D6 -59.08 1.38 -8.86 -0.57 0
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6402 68512 1 O3C8H8 A3B8C8 -111.35 6.77 -9.55 -0.84 0