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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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318296 126650386 1 N2O5C23H26 A2B5C23D26 -170.38 7.52 -8.83 -0.29 0
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318297 126650389 1 N2O5C23H26 A2B5C23D26 -163.68 11.3 -9.08 -0.52 0
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318298 126650390 1 NO5C17H25 AB5C17D25 -210.41 4.89 -9.18 -0.09 0
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318299 126650393 1 ON2F3C15H15 AB2C3D15E15 -170.34 5.41 -8.94 -0.37 0
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318300 126650395 1 N2O3C20H20 A2B3C20D20 -39.32 7.62 -9.25 -1.43 0
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318301 126650396 1 ClO2N3C28H30 AB2C3D28E30 -19.85 5.31 -8.92 -0.9 0
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318303 126650398 1 N2O3C20H22 A2B3C20D22 -79.39 5.45 -9.07 -0.53 0
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318306 126650406 1 N3F4O4H11C17 A3B4C4D11E17 -263.21 6.2 -9.64 -1.22 0
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318307 126650411 1 NO5C16H21 AB5C16D21 -207.59 7.12 -8.94 0.07 0
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318308 126650416 1 BrN2O6C26H29 AB2C6D26E29 -236.08 5.24 -9.58 -1.38 0
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318310 126650418 1 BrN2O6C26H29 AB2C6D26E29 -237.62 6.89 -9.62 -1.38 0
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318312 126650441 1 NO4C15H21 AB4C15D21 -169.27 6.39 -9.16 -0.09 0
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318315 126650496 1 ClN2F3O7H26C27 AB2C3D7E26F27 -392.54 5.15 -9.29 -0.96 0
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318317 126650500 1 ClNO2H10C15 ABC2D10E15 -15.61 7.84 -9.73 -1.13 0
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318320 126650507 1 ClN2O4C20H29 AB2C4D20E29 -173.98 3.63 -9.24 -0.22 0
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318323 126650511 1 ON5C22H29 AB5C22D29 56.04 5.4 -9.13 -0.05 0
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318325 126650513 1 SN3O3F5H18C22 AB3C3D5E18F22 -290.5 6.95 -9.5 -1.04 0
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318326 126650516 1 S2O3F4N4H18C24 A2B3C4D4E18F24 -207.1 8.72 -9.33 -1.09 0
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318327 126650517 1 NO4C15H21 AB4C15D21 -158.86 8.6 -9.1 -0.1 0
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318329 126650526 1 SN3O8C27H33 AB3C8D27E33 -324.86 8.28 -9.03 -1.25 0
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318330 126650528 1 ClFN2O8C29H30 ABC2D8E29F30 -317.87 3.56 -9.1 -1.03 0
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318331 126650529 1 O2N5C15H21 A2B5C15D21 -36.15 3.9 -8.46 -0.16 0
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318332 126650530 1 NO4C15H21 AB4C15D21 -162.88 7.0 -8.95 -0.06 0
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318333 126650538 1 SN3F4O4H21C25 AB3C4D4E21F25 -294.27 7.57 -9.36 -1.08 0
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318334 126650539 1 BrClOSN5H13C14 ABCDE5F13G14 52.37 2.42 -8.91 -0.87 0
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318335 126650540 1 NSO4C12H15 ABC4D12E15 -97.11 5.44 -9.74 -1.04 0
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318336 126650541 1 SO3F4N4H20C25 AB3C4D4E20F25 -208.51 6.75 -9.46 -1.19 0
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318337 126650543 1 SO3F4N4H20C26 AB3C4D4E20F26 -210.29 7.52 -9.44 -0.98 0
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318339 126650548 2 N4C8H11 A4B8C11 72.93 4.18 -8.36 -0.52 0
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318340 126650554 1 N5C14H17 A5B14C17 54.08 6.61 -8.59 -0.55 -1
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318341 126650577 1 N6O6C22H29 A6B6C22D29 -122.58 8.22 0.0 0.0 0
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318343 126650586 1 SF3O3N5H22C25 AB3C3D5E22F25 -162.18 5.89 -9.44 -1.08 0
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318345 126650592 1 SO4F9H15C24 AB4C9D15E24 -523.28 9.84 -9.71 -1.34 0
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318347 126650600 1 NO3C26H29 AB3C26D29 -77.29 4.61 -8.88 0.04 0
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318348 126650610 1 O2F4N7H11C17 A2B4C7D11E17 -109.19 2.92 -9.6 -1.46 0
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318351 126650615 1 SN2F4O5H20C24 AB2C4D5E20F24 -306.42 6.13 -9.36 -1.19 0
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318352 126650634 1 SF3N4O4H23C27 AB3C4D4E23F27 -206.55 5.18 -9.34 -0.96 0
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318353 126650641 1 ClIOH6C7 ABCD6E7 -25.06 1.77 -9.18 -1.26 0
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318354 126650642 2 NH26C28 AB26C28 167.91 2.83 -7.92 0.25 0
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318355 126650646 1 FO2N5C29H36 AB2C5D29E36 -73.58 6.11 -8.15 -0.65 0
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318357 126650676 1 ClFO3N4C20H20 ABC3D4E20F20 -103.44 1.23 -9.01 -0.59 0
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318358 126650698 1 ClN3O3H14C17 AB3C3D14E17 -37.58 6.72 -9.43 -1.05 0
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318359 126650733 1 SN6O7C13H22 AB6C7D13E22 -204.77 7.96 -9.19 -1.28 0
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318360 126650735 1 NO4C13H17 AB4C13D17 -138.55 6.15 -9.76 -0.06 0
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318361 126650772 1 N2F3O3H23C25 A2B3C3D23E25 -205.53 7.32 -7.99 -0.77 0
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318362 126650784 1 ClFN4O4C22H24 ABC4D4E22F24 -147.31 2.81 -9.02 -0.75 0
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318363 126650790 1 N2O3C24H24 A2B3C24D24 -38.23 4.3 -7.98 -0.39 0
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318364 126650803 1 SN4O7C24H30 AB4C7D24E30 -130.64 9.0 -9.09 -0.68 0
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318367 126650843 2 ON2C7H8 AB2C7D8 -2.14 1.77 -9.51 -0.72 0
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318368 126650846 1 ClN3O3C21H28 AB3C3D21E28 -100.24 4.29 -8.56 0.16 0
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318370 126650849 1 FN3O3C25H26 AB3C3D25E26 -89.14 4.98 -8.12 -0.25 0
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318371 126650859 1 O2N3C18H25 A2B3C18D25 -57.5 4.51 -8.66 -0.07 0
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318373 126650923 1 O3N5C15H15 A3B5C15D15 -13.34 6.1 -9.06 -0.86 0
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318374 126650931 1 ClO3N4C17H17 AB3C4D17E17 -47.64 2.3 -8.96 -0.71 0
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318377 126650975 1 ClFN2O3H18C19 ABC2D3E18F19 -142.02 3.16 -8.94 -0.47 0
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318378 126651008 1 ClON2C18H19 ABC2D18E19 9.31 2.53 -8.85 -0.61 0
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318379 126651009 1 ClO3N4H13C14 AB3C4D13E14 -11.2 5.55 -9.24 -1.06 0
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318380 126651011 1 ClFO2N4H12C17 ABC2D4E12F17 -13.62 2.41 -9.67 -1.21 0
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318381 126651014 1 ClO2N4H13C17 AB2C4D13E17 32.7 3.07 -9.49 -1.14 0
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318382 126651015 1 N2O2C13H16 A2B2C13D16 -4.92 9.1 -8.63 -1.53 0
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318383 126651016 1 ClFNO3C18H19 ABCD3E18F19 -150.12 5.14 -8.97 -0.45 0
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318384 126651022 1 ClSO3C10H11 ABC3D10E11 -96.22 7.38 -9.35 -0.92 0
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318385 126651032 1 ClFO3N4H24C27 ABC3D4E24F27 -70.06 3.48 -8.74 -0.85 0
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318386 126651043 1 ClON3H18C20 ABC3D18E20 43.48 8.92 -9.08 -0.83 0
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318387 126651046 1 O2N4C27H30 A2B4C27D30 6.78 3.01 -8.77 -0.85 0
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318388 126651052 2 NC8H14 AB8C14 -17.86 0.62 -9.29 0.1 0
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318389 126651057 1 ClFN2O8C28H28 ABC2D8E28F28 -319.29 7.28 -9.38 -1.33 0
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318390 126651066 1 BrNS2O6C16H24 ABC2D6E16F24 -256.15 6.8 -9.4 -1.65 0
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318391 126651071 1 N5O21C47H51 A5B21C47D51 -728.18 8.0 -9.4 -2.19 0
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318393 126651085 1 S2N3O5C20H23 A2B3C5D20E23 -29.24 4.21 -9.09 -1.26 0
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318394 126651088 1 BrNOC9H14 ABCD9E14 9.39 2.36 -9.01 0.21 0
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318395 126651097 1 SNa2O8C18H32 AB2C8D18E32 -223.34 94.83 -4.92 -3.71 0
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318396 126651109 1 O2C13H14 A2B13C14 -45.59 3.87 -9.48 -0.28 0
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318397 126651112 1 ON3C7H7 AB3C7D7 47.73 6.76 -8.62 -1.53 0
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318398 126651115 1 ClNO2F3H9C15 ABC2D3E9F15 -186.16 3.75 -9.26 -1.22 0