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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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312307 126604223 1 NCl2O4H21C25 AB2C4D21E25 -92.37 8.02 -8.95 -0.75 0
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312308 126604224 2 NOC8H8 ABC8D8 32.57 9.52 -8.67 -1.31 0
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312309 126604230 1 NO4H15C17 AB4C15D17 -74.76 12.46 -9.15 -1.48 0
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312310 126604241 1 ClO4C21H25 AB4C21D25 -161.36 2.52 -8.51 -0.18 0
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312311 126604242 1 ClFO3C20H22 ABC3D20E22 -163.75 3.02 -8.64 -0.5 0
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312312 126604244 1 ClF3O3C20H20 AB3C3D20E20 -272.0 3.92 -8.65 -0.86 0
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312313 126604250 1 OC11H18 AB11C18 -64.93 1.89 -9.19 1.35 0
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312314 126604252 1 NSF3O5C24H30 ABC3D5E24F30 -368.32 6.87 -9.62 -1.39 0
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312315 126604254 3 NC4H9 AB4C9 -21.31 2.66 -8.53 2.78 0
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312316 126604258 1 O3N6C29H40 A3B6C29D40 -67.34 7.65 -8.34 -0.64 0
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312317 126604259 2 O2N3C15H20 A2B3C15D20 -95.49 5.92 -8.42 -0.63 0
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312318 126604261 1 N2O6C29H44 A2B6C29D44 -323.6 0.67 -8.57 0.35 0
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312319 126604264 1 NO5C27H29 AB5C27D29 -137.57 5.71 -8.63 -0.36 0
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312320 126604266 1 O3N6C31H42 A3B6C31D42 -66.82 8.32 -8.31 -0.6 0
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312321 126604268 1 NC28H33 AB28C33 47.01 0.63 -7.81 0.02 0
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312322 126604284 1 NO3C29H43 AB3C29D43 -153.38 3.71 -8.23 -0.31 0
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312323 126604290 1 NC16H31 AB16C31 -47.63 1.24 -8.62 3.13 0
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312324 126604298 1 NC18H35 AB18C35 -59.8 1.42 -8.55 3.16 0
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312325 126604300 1 NC31H39 AB31C39 32.04 0.54 -7.81 0.0 0
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312326 126604305 1 FOP2C5H11 ABC2D5E11 -107.12 2.24 -9.7 0.14 0
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312327 126604311 2 FC9H10 AB9C10 -80.52 0.66 -8.98 -0.3 0
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312328 126604314 1 Cl2O3N7C33H35 A2B3C7D33E35 6.62 2.6 -9.24 -1.08 0
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312329 126604316 1 FO2N7H26C27 AB2C7D26E27 14.14 4.01 -8.97 -0.64 0
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312330 126604317 2 ON3H13C14 AB3C13D14 63.25 8.3 -8.52 -0.42 0
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312331 126604319 1 FO2N7H22C26 AB2C7D22E26 48.24 8.19 -8.89 -0.71 0
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312332 126604321 1 O6N7C32H39 A6B7C32D39 -159.57 2.8 -9.31 -0.34 0
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312333 126604324 1 O2F3N7H28C31 A2B3C7D28E31 -55.58 2.01 -8.93 -0.63 0
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312334 126604327 1 FO2N7H22C26 AB2C7D22E26 46.7 6.08 -8.89 -0.7 0
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312335 126604328 1 FO2N7H20C24 AB2C7D20E24 44.84 5.23 -9.04 -0.85 0
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312336 126604330 1 PO8C20H35 AB8C20D35 -431.93 6.89 -9.15 -0.37 0
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312337 126604331 1 N2S2O8C21H30 A2B2C8D21E30 -336.81 2.08 -9.85 -0.66 0
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312338 126604332 1 N3C24H31 A3B24C31 42.68 4.53 -7.97 0.21 0
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312339 126604342 1 F2O2N7H21C26 A2B2C7D21E26 6.75 5.92 -8.96 -0.85 0
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312340 126604343 1 F2O2N7H21C26 A2B2C7D21E26 0.09 5.14 -9.19 -1.02 0
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312341 126604347 1 NSC11H15 ABC11D15 57.31 2.11 -8.36 -0.11 0
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312342 126604353 1 FO2N8C32H35 AB2C8D32E35 27.63 9.93 -9.27 -0.89 0
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312343 126604356 1 SN5O7C40H67 AB5C7D40E67 -352.48 7.01 -9.14 -0.6 0
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312344 126604357 1 SN5O7C38H65 AB5C7D38E65 -359.67 7.55 -9.68 -0.69 0
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312345 126604360 1 SN5O8C34H57 AB5C8D34E57 -385.66 4.23 -9.3 -0.79 0
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312346 126604362 1 FO2N7H22C26 AB2C7D22E26 49.86 6.99 -9.14 -0.74 0
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312347 126604367 2 ON3H13C14 AB3C13D14 61.58 4.58 -8.38 -0.54 0
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312348 126604370 1 SN5O7C37H65 AB5C7D37E65 -382.1 4.7 -9.32 0.02 0
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312349 126604371 1 FO2N7H20C24 AB2C7D20E24 42.76 3.84 -8.96 -0.9 0
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312350 126604373 1 SO2F3N4H13C17 AB2C3D4E13F17 -109.16 3.36 -8.32 -1.36 0
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312351 126604379 1 OC17H30 AB17C30 -59.9 2.4 -9.31 1.35 0
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312352 126604381 1 ON7C22H33 AB7C22D33 -10.06 1.64 -8.36 -0.23 0
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312355 126604402 1 N3H55C60 A3B55C60 194.55 0.76 -7.43 -0.13 0
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312356 126604403 2 NH23C29 AB23C29 239.01 0.46 -7.66 -0.28 0
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312357 126604404 1 N3H25C26 A3B25C26 127.49 7.17 -9.16 -1.04 0
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312358 126604407 2 NC20H20 AB20C20 140.66 4.42 -7.73 0.18 0
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312359 126604410 1 ON4H34C45 AB4C34D45 185.49 6.02 -7.99 -0.76 0
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312360 126604422 1 PSC6H15 ABC6D15 -27.73 1.8 -8.38 0.95 0
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312361 126604434 1 NC23H27 AB23C27 45.25 2.04 -7.81 0.17 0
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312362 126604448 2 NH18C23 AB18C23 348.29 2.87 -8.87 -0.78 0
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312363 126604451 1 BrNC21H24 ABC21D24 64.47 4.69 -7.84 0.1 0
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312364 126604453 2 NH10C12 AB10C12 112.76 2.97 -8.49 -0.99 0
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312365 126604457 3 NH13C16 AB13C16 202.79 4.36 -8.37 -0.56 0
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312366 126604460 1 ClN2O2C13H17 AB2C2D13E17 -59.87 4.96 -8.92 -0.89 0
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312367 126604461 1 ClON5C22H24 ABC5D22E24 38.88 5.09 -8.92 -1.01 0
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312368 126604464 1 BrN2H19C22 AB2C19D22 92.19 4.47 -8.63 -0.95 0
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312369 126604466 2 NH15C19 AB15C19 205.65 2.81 -8.68 -0.54 0
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312370 126604470 1 NS2O4H21C23 AB2C4D21E23 -81.73 4.56 -8.8 -0.88 0
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312371 126604475 1 NSO2H17C20 ABC2D17E20 36.4 3.65 -7.17 -0.73 0
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312372 126604476 1 NO3C23H47 AB3C23D47 -180.99 4.76 -9.19 -0.54 0
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312373 126604483 1 NS2O4H21C23 AB2C4D21E23 -78.55 5.66 -8.91 -1.01 0
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312374 126604487 1 SO4C14H14 AB4C14D14 -113.93 3.87 -8.18 -1.31 0
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312375 126604491 1 ClNOC12H12 ABCD12E12 -15.59 5.89 -8.73 -0.15 0
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312376 126604499 1 OH14C15 AB14C15 6.84 1.64 -8.39 -0.39 0
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312377 126604500 1 O3C12H22 A3B12C22 -158.32 0.7 -10.17 -0.08 0
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312378 126604519 1 ClNC11H14 ABC11D14 19.13 4.35 -7.98 0.31 0
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312379 126604525 1 SO2H10C11 AB2C10D11 -51.62 2.05 -8.69 -0.55 0
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312380 126604528 1 NSH17C18 ABC17D18 54.27 3.29 -7.9 -0.49 0
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312381 126604530 1 OSH16C17 ABC16D17 -9.74 2.04 -8.65 -0.71 0
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312382 126604531 1 FNOH12C15 ABCD12E15 -20.56 5.75 -9.37 -0.58 0
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312383 126604532 1 SH12C13 AB12C13 30.96 1.98 -8.2 -0.55 0
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312384 126604537 1 NOC17H19 ABC17D19 5.15 3.66 -8.05 -0.26 0
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312385 126604545 1 N4O8C25H56 A4B8C25D56 -387.46 1.94 -9.27 1.52 2
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312387 126604556 1 O3C17H34 A3B17C34 -203.97 2.61 -9.65 1.1 0
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312388 126604560 1 N5C16H19 A5B16C19 80.74 1.03 -8.04 0.22 0
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312389 126604568 1 N2O2F6H24C31 A2B2C6D24E31 -307.05 5.69 -9.02 -0.58 0
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312390 126604569 1 O4C15H28 A4B15C28 -155.88 2.53 -9.33 1.7 0
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312391 126604573 1 NC12H21 AB12C21 -12.38 1.09 -8.62 0.54 0
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312392 126604581 1 O4C21H40 A4B21C40 -183.13 2.9 -9.65 1.95 0
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312393 126604598 1 O5N6C23H30 A5B6C23D30 -141.04 13.93 -8.54 -0.62 0
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312394 126604608 1 O5N7C27H35 A5B7C27D35 -175.39 9.61 -9.02 -1.31 0
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312395 126604609 1 O5N7C28H37 A5B7C28D37 -178.85 14.67 -8.98 -1.44 0
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312396 126604612 1 O5N8C26H34 A5B8C26D34 -153.15 7.31 -9.14 -1.58 0
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312397 126604624 1 N2O4C11H14 A2B4C11D14 -134.72 3.59 -8.3 -0.5 0
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312398 126604626 1 S2N3O3C20H23 A2B3C3D20E23 -50.19 5.05 -8.92 -0.96 0
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312399 126604630 1 S2O3N4H16C20 A2B3C4D16E20 14.98 2.14 -8.68 -1.38 0
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312400 126604632 1 N2O9C20H30 A2B9C20D30 -301.75 2.53 -9.03 0.58 0
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312401 126604694 1 NO2C12H15 AB2C12D15 -39.43 2.34 -9.94 -0.76 0
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312402 126604696 1 S2O3N6H18C20 A2B3C6D18E20 59.56 4.37 -8.88 -1.12 0
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312403 126604698 1 O2S2N3H15C16 A2B2C3D15E16 21.79 5.86 -8.16 -1.11 0
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312404 126604699 1 F3N10O26C83H111 A3B10C26D83E111 -1117.75 7.97 -9.22 -1.48 0
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312405 126604702 1 BrO2S2N3H14C16 AB2C2D3E14F16 -3.5 3.19 -8.45 -1.45 0
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312406 126604709 1 O2N3S3H9C10 A2B3C3D9E10 9.47 5.73 -7.62 -1.68 0
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312407 126604710 1 ON2S3C9H10 AB2C3D9E10 24.91 4.57 -8.34 -1.07 0
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312408 126604716 1 NO3C13H19 AB3C13D19 -83.28 1.54 -8.72 0.22 0
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312409 126604724 1 NOS2C17H27 ABC2D17E27 -28.61 2.25 -8.03 0.39 0