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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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186502 77439142 1 ON2C25H42 AB2C25D42 -55.94 3.3 -8.73 0.49 0
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186503 77439143 1 OSN2C19H26 ABC2D19E26 18.31 4.83 -8.62 0.0 0
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186504 77439148 1 ON3H13C15 AB3C13D15 44.84 7.73 -8.88 -0.64 0
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186505 77439299 1 ClO3N6C29H39 AB3C6D29E39 -76.37 6.46 -8.62 -0.42 0
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186506 77439300 1 NOSC6H9 ABCD6E9 -50.4 4.16 -8.91 0.18 0
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186507 77439306 1 ON2F4C25H30 AB2C4D25E30 -241.42 5.29 -8.77 -0.55 0
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186508 77439307 2 NOC8H12 ABC8D12 -74.83 7.11 -8.88 0.38 0
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186509 77439362 1 N3O8C25H47 A3B8C25D47 -369.43 7.84 -9.39 -0.5 0
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186510 77440023 3 NC5H7 AB5C7 30.46 7.21 -8.74 -0.51 0
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186511 77440271 1 FN3O4C26H30 AB3C4D26E30 -155.56 6.88 -8.85 -0.75 0
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186512 77440490 1 ClSO2N4C20H21 ABC2D4E20F21 -15.92 6.08 -9.32 -0.94 0
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186513 77440589 1 ClSO4N7C27H34 ABC4D7E27F34 -40.43 4.94 -8.8 -1.21 0
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186514 77440667 1 OF3N7C25H34 AB3C7D25E34 -168.34 10.32 -9.05 -0.62 1
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186515 77440711 1 BrO2N5C18H21 AB2C5D18E21 10.02 5.09 0.0 0.0 0
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186516 77441171 1 ClF3N3O5C27H27 AB3C3D5E27F27 -308.21 5.35 -9.05 -0.97 0
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186517 77441210 1 FO2N3C21H22 AB2C3D21E22 -61.35 4.36 -9.18 -0.54 0
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186518 77441211 2 NO2C9H10 AB2C9D10 -116.45 5.6 -9.63 -0.86 0
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186519 77441613 1 BrN2S2O9C20H23 AB2C2D9E20F23 -328.65 8.79 -9.75 -1.86 0
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186520 77441893 1 O11C39H70 A11B39C70 -563.63 2.48 -9.54 -0.21 0
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186521 77442108 1 N3O3H33C38 A3B3C33D38 40.64 1.52 -8.06 -1.12 0
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186522 77442109 1 FN2O4C18H21 AB2C4D18E21 -144.3 4.39 -9.29 -0.94 0
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186523 77442674 1 NO13C21H35 AB13C21D35 -572.98 5.13 -8.86 -0.2 0
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186524 77442731 1 SN4O7C32H48 AB4C7D32E48 -276.7 8.09 -9.23 0.06 0
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186525 77442744 2 NO2C10H14 AB2C10D14 -193.5 3.26 -9.63 -0.02 0
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186526 77442745 1 ClS2N5O7C37H46 AB2C5D7E37F46 -230.08 6.67 -8.64 -1.17 0
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186527 77442746 1 S2N5O7C37H47 A2B5C7D37E47 -194.69 9.47 -8.7 -1.12 0
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186528 77442747 1 ClSN4O6C33H39 ABC4D6E33F39 -174.84 6.84 -8.68 -1.14 0
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186529 77442748 1 FSN5O5C34H40 ABC5D5E34F40 -145.74 7.3 -8.5 -0.54 0
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186530 77442749 1 FSN2O4C31H37 ABC2D4E31F37 -162.56 3.44 -8.49 -0.5 0
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186531 77442750 1 FN4O4C31H33 AB4C4D31E33 -123.95 6.25 -8.55 -0.64 0
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186532 77442758 1 ClSN4O4C35H43 ABC4D4E35F43 -100.06 4.87 -8.65 -1.19 0
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186533 77443155 1 ClSO2N7C17H18 ABC2D7E17F18 68.78 6.11 -8.49 -1.02 0
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186534 77443244 1 S2O3N5H17C22 A2B3C5D17E22 36.7 8.35 -8.82 -2.46 0
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186535 77443245 1 O3C19H26 A3B19C26 -120.18 2.31 -8.99 0.16 0
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186536 77443289 1 N4C29H30 A4B29C30 156.23 3.15 -8.83 -0.4 0
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186537 77443290 1 O3N4C16H18 A3B4C16D18 -29.31 9.24 -9.09 -1.02 0
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186538 77443601 1 FN3O3C27H30 AB3C3D27E30 -109.86 3.98 -8.51 -0.35 0
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186539 77443684 1 ClN5O5C35H50 AB5C5D35E50 -186.73 10.34 -9.36 -0.79 0
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186540 77443854 2 O3C5H8 A3B5C8 -288.87 3.12 -10.61 0.37 1
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186541 77443884 1 O2N8C21H27 A2B8C21D27 0.73 4.62 0.0 0.0 0
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186542 77443885 1 ClO4C17H23 AB4C17D23 -194.39 4.48 -10.04 -0.82 0
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186543 77443886 1 N4O19C36H50 A4B19C36D50 -839.02 10.47 -10.32 -1.16 0
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186544 77443964 1 NO3C26H35 AB3C26D35 -119.84 5.94 -9.17 -0.11 0
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186545 77443965 1 NO6C33H49 AB6C33D49 -286.69 3.22 -8.98 1.05 0
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186546 77443966 1 N5O6C42H45 A5B6C42D45 -139.74 4.12 -8.72 -0.6 0
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186547 77443967 1 OSN2C22H24 ABC2D22E24 24.98 6.3 -8.56 -0.3 0
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186548 77443968 1 SN2C22H26 AB2C22D26 46.98 2.46 -8.28 -0.08 0
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186549 77443969 1 NSH13C16 ABC13D16 82.66 3.32 -8.24 -0.18 0
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186550 77443970 1 SN2O3H28C29 AB2C3D28E29 -39.48 3.73 -8.36 -0.54 0
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186551 77444028 1 N2O2C29H44 A2B2C29D44 -100.44 4.67 -8.66 0.0 0