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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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316216 126630397 1 N3H33C49 A3B33C49 216.66 3.1 -8.07 -0.44 0
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316217 126630400 1 N3H33C49 A3B33C49 217.5 3.18 -8.04 -0.5 0
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316218 126630406 1 N3H33C49 A3B33C49 216.63 1.8 -8.1 -0.58 0
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316221 126630412 1 N3H35C53 A3B35C53 234.61 0.74 -7.82 -0.72 0
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316222 126630413 2 NH18C27 AB18C27 226.0 1.8 -7.91 -0.51 0
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316223 126630414 1 N3H35C53 A3B35C53 233.87 1.66 -7.93 -0.53 0
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316225 126630417 2 NH18C27 AB18C27 226.07 1.8 -7.93 -0.67 0
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316226 126630418 1 N3H33C49 A3B33C49 220.34 0.63 -8.15 -0.41 0
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316227 126630420 1 N3H37C57 A3B37C57 249.51 0.93 -7.88 -0.78 0
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316228 126630421 1 N3H35C53 A3B35C53 234.02 3.36 -7.94 -0.54 0
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316232 126630425 1 O5N6C29H40 A5B6C29D40 -180.29 3.2 -9.39 -0.96 0
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316233 126630426 1 N3H37C57 A3B37C57 251.45 2.13 -7.85 -0.64 0
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316234 126630427 1 N3H37C57 A3B37C57 248.34 3.3 -7.91 -0.62 0
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316235 126630428 1 N3H35C53 A3B35C53 233.67 2.49 -7.82 -0.48 0
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316236 126630429 1 NO4C22H27 AB4C22D27 -153.67 2.23 -9.37 -0.9 0
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316238 126630431 1 N11H103C166 A11B103C166 786.27 4.23 -7.8 -1.22 0
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316239 126630432 3 N4H34C55 A4B34C55 799.27 1.24 -7.84 -1.43 0
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316240 126630433 1 N11H103C166 A11B103C166 783.88 2.65 -7.9 -1.21 0
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316241 126630434 1 N11H103C166 A11B103C166 784.09 2.17 -7.87 -1.15 0
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316243 126630436 3 N4H34C55 A4B34C55 797.09 2.78 -7.89 -1.35 0
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316245 126630440 1 N11H105C170 A11B105C170 804.93 2.74 -7.86 -1.46 0
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316246 126630441 1 N11H103C166 A11B103C166 783.1 3.41 -7.9 -1.08 0
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316247 126630442 1 N11H105C170 A11B105C170 803.01 1.09 -7.82 -1.42 0
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316248 126630443 1 N11H105C170 A11B105C170 803.04 2.06 -7.9 -1.4 0
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316249 126630444 1 N11H105C170 A11B105C170 801.85 3.14 -7.88 -1.36 0
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316250 126630447 1 N11H105C170 A11B105C170 801.05 3.46 -7.9 -1.41 0
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316251 126630449 1 N11H105C170 A11B105C170 802.95 2.02 -7.88 -1.37 0
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316253 126630467 1 N11H105C170 A11B105C170 793.89 3.21 -8.05 -1.36 0
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316255 126630474 1 N10H106C171 A10B106C171 794.57 3.99 -8.05 -1.54 0
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316256 126630477 1 N11H103C166 A11B103C166 781.96 2.35 -8.04 -1.25 0
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316259 126630492 1 NO2C8H17 AB2C8D17 -114.68 2.65 -9.74 0.79 0
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316261 126630499 1 N11H91C148 A11B91C148 712.66 0.74 -8.08 -0.99 0
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316263 126630503 1 N11H105C170 A11B105C170 835.16 2.54 -7.79 -1.32 0
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316264 126630505 1 N11H103C166 A11B103C166 796.12 3.36 -7.95 -1.28 0
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316265 126630510 1 N11H105C170 A11B105C170 802.75 2.73 -7.81 -1.3 0
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316266 126630518 1 N11H105C170 A11B105C170 798.63 3.56 -7.99 -1.37 0
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316268 126630524 1 N11H103C166 A11B103C166 782.2 3.13 -7.99 -1.06 0
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316270 126630536 1 N11H99C160 A11B99C160 756.46 0.78 -8.05 -1.3 0
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316271 126630556 1 N11H105C170 A11B105C170 860.27 15.72 -6.67 -2.23 0
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316272 126630557 1 N11H103C166 A11B103C166 780.29 2.81 -8.12 -1.24 0
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316275 126630561 1 N11H103C166 A11B103C166 852.58 1.59 -7.92 -0.87 0
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316276 126630562 1 N11H105C170 A11B105C170 798.18 3.89 -8.16 -1.48 0
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316277 126630563 3 N4H34C55 A4B34C55 885.21 3.06 -7.29 -1.32 0
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316279 126630565 1 N11H105C170 A11B105C170 797.01 6.79 -7.9 -1.37 0
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316280 126630566 1 N11H103C166 A11B103C166 780.24 3.62 -8.11 -1.28 0
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316281 126630567 1 N4O6C25H42 A4B6C25D42 -274.05 3.87 -9.19 0.25 0
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316282 126630568 1 N11H105C170 A11B105C170 803.51 2.68 -8.05 -1.46 0
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316288 126630580 1 N11H91C148 A11B91C148 714.5 3.59 -7.99 -0.91 0
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316289 126630581 3 N4H30C49 A4B30C49 729.89 2.72 -8.06 -1.0 0
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316290 126630582 1 N11H105C170 A11B105C170 897.11 10.39 -7.84 -1.49 0