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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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311393 126591304 1 F2N2O5C25H38 A2B2C5D25E38 -288.13 4.41 -9.31 0.55 0
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311394 126591308 1 NO5C8H17 AB5C8D17 -227.28 3.69 -9.44 1.11 0
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311395 126591346 1 O4C29H30 A4B29C30 -83.69 3.77 -8.79 -0.46 0
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311396 126591351 1 NOS2C24H35 ABC2D24E35 -19.7 1.62 -8.76 0.03 0
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311397 126591352 1 NOC16H29 ABC16D29 -41.16 4.2 -8.3 1.18 0
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311398 126591376 1 NO2F4C18H21 AB2C4D18E21 -270.13 4.69 -9.91 -0.72 0
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311400 126591466 4 OC4H6 AB4C6 -98.88 1.9 -9.8 0.99 0
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311401 126591489 1 ClO2F3N4H18C20 AB2C3D4E18F20 -165.09 3.13 -8.83 -1.28 0
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311402 126591589 1 O2F3N4H19C20 A2B3C4D19E20 -135.01 5.32 -8.82 -0.94 0
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311403 126591590 1 ON2C10H22 AB2C10D22 -72.8 2.69 -10.06 0.89 0
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311404 126591592 1 N4O4S4C21H32 A4B4C4D21E32 -93.85 6.78 -8.76 -1.86 0
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311405 126591593 1 S4N6O6C23H30 A4B6C6D23E30 -67.31 10.99 -8.99 -2.07 0
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311406 126591594 1 F3O5C15H21 A3B5C15D21 -332.45 3.93 -9.63 0.08 0
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311407 126591595 1 F3O5C15H21 A3B5C15D21 -333.79 4.13 -9.64 0.06 0
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311408 126591596 3 FO2C5H7 AB2C5D7 -363.57 4.18 -9.6 -0.3 0
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311409 126591598 1 F4O5C14H18 A4B5C14D18 -372.09 4.13 -9.89 -0.22 0
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311410 126591632 1 NH47C62 AB47C62 265.88 2.85 -7.89 -0.34 0
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311411 126591766 1 O3N8C22H24 A3B8C22D24 21.49 2.61 -8.57 -0.77 0
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311412 126591767 1 NO8C23H31 AB8C23D31 -226.11 4.07 -9.56 -1.52 0
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311413 126591977 1 ClO2N4C23H29 AB2C4D23E29 -50.51 3.02 -8.64 -0.73 2
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311414 126592033 1 ClN2O12C45H61 AB2C12D45E61 -361.27 7.95 -5.88 -0.33 0
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311415 126592096 1 ClN2C46H55 AB2C46D55 81.75 3.54 -7.78 -0.48 0
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311416 126592235 1 N4H36C53 A4B36C53 248.06 1.58 -8.23 -1.24 0
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311417 126592242 1 FN3O3C24H32 AB3C3D24E32 -149.13 3.71 -8.68 -0.63 0
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311418 126592345 1 ON5H39C60 AB5C39D60 261.22 1.95 -8.16 -1.48 0
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311419 126592371 1 FISN3O4C17H17 ABCD3E4F17G17 -113.59 2.79 -8.74 -1.22 0
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311420 126592377 1 N5H43C60 A5B43C60 271.15 7.78 -7.8 -0.46 0
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311421 126592380 1 FISN4O4C17H18 ABCD4E4F17G18 -110.17 4.65 -8.94 -1.21 0
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311422 126592381 1 BrN2H23C36 AB2C23D36 167.32 2.37 -8.23 -0.67 0
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311423 126592382 1 N5H37C53 A5B37C53 258.78 1.67 -8.11 -1.34 0
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311424 126592383 1 ClN4H19C30 AB4C19D30 171.56 2.35 -9.27 -1.35 0
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311425 126592384 1 N5H35C51 A5B35C51 251.73 2.9 -8.1 -1.31 0
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311426 126592605 1 O4C15H30 A4B15C30 -229.05 3.39 -9.54 1.5 0
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311427 126592606 4 OC4H8 AB4C8 -232.3 3.52 -9.54 1.5 0
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311428 126592611 1 NOC9H11 ABC9D11 1.12 2.78 -8.41 0.2 0
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311429 126592657 1 NH41C54 AB41C54 181.27 2.59 -8.0 -0.52 0
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311430 126592710 1 FSO3N4C13H23 ABC3D4E13F23 -131.95 4.33 -8.8 -0.12 0
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311431 126592714 2 SN2O3C13H15 AB2C3D13E15 -153.41 4.94 -8.63 -1.25 0
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311432 126592724 2 ON2C7H14 AB2C7D14 -122.31 1.96 -8.89 1.07 0
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311433 126592776 1 BrFO2N4C14H16 ABC2D4E14F16 -83.3 5.37 -9.26 -0.97 0
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311434 126592781 1 BrFO2N6H18C20 ABC2D6E18F20 -11.0 7.82 -9.45 -1.16 0
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311435 126592825 2 OC3H3N3 AB3C3D3 107.64 3.78 -9.62 -1.86 0
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311436 126592889 1 BrFSO3N4H16C17 ABCD3E4F16G17 -85.33 8.89 -9.27 -1.24 0
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311437 126592891 1 BrFO3N5C23H23 ABC3D5E23F23 -68.18 4.65 -9.45 -0.9 0
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311438 126592892 1 BrFON7H19C20 ABCD7E19F20 70.9 9.28 -8.77 -0.94 0
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311439 126592893 1 BrFO2N6H20C23 ABC2D6E20F23 7.26 10.82 -9.39 -1.39 0
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311440 126592894 1 BrFO4N5C21H23 ABC4D5E21F23 -135.04 4.33 -8.73 -0.84 0
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311441 126592895 1 BrFO3N6C23H26 ABC3D6E23F26 -70.04 5.13 -8.72 -0.84 0
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311442 126592896 1 BrFSO3N4C19H20 ABCD3E4F19G20 -91.84 7.59 -8.94 -0.85 0
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311443 126592897 1 BrO2F3N7H21C23 AB2C3D7E21F23 -101.48 4.31 -8.77 -0.9 0
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311444 126592898 1 BrFIO2N5C20H20 ABCD2E5F20G20 -29.44 6.23 -9.34 -2.22 0
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311445 126592899 1 SO5N9C26H35 AB5C9D26E35 -49.61 2.88 -8.69 -0.78 0
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311446 126592901 1 Cl2O7H16C17 A2B7C16D17 -257.33 2.84 -9.9 -1.37 0
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311447 126592903 1 Cl2O5H14C15 A2B5C14D15 -192.32 2.56 -9.89 -1.28 0
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311448 126592904 1 ClNO5H12C13 ABC5D12E13 -184.5 5.57 -9.58 -1.51 0
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311449 126592905 1 Cl2O3H12C13 A2B3C12D13 -105.4 5.52 -9.69 -0.99 0
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311450 126592909 1 ClO2N4C14H15 AB2C4D14E15 59.87 2.43 -9.17 -0.79 0
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311451 126592910 1 ClO3H9C10 AB3C9D10 -70.56 1.66 -9.51 -1.0 0
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311452 126592911 1 ClO2N4C16H19 AB2C4D16E19 50.23 1.71 -9.08 -0.6 0
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311453 126592912 1 OSC12H14 ABC12D14 2.61 3.45 -8.8 -0.89 0
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311454 126592913 1 O2C13H16 A2B13C16 -49.33 3.08 -9.66 -0.7 0
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311455 126592914 1 ClO2N4C16H21 AB2C4D16E21 7.42 0.69 -9.06 -0.96 0
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311456 126592915 1 ClON5C14H18 ABC5D14E18 77.16 4.77 -8.97 -0.81 0
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311457 126592918 1 OC13H16 AB13C16 -9.09 3.71 -9.53 -0.55 0
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311458 126592919 1 ClNO3C14H14 ABC3D14E14 -96.78 6.21 -8.59 -0.69 0
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311459 126592920 1 ClNOC10H10 ABCD10E10 -23.39 4.94 -8.54 -0.55 0
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311460 126592922 1 O2N4C13H18 A2B4C13D18 -61.08 9.17 -9.15 0.17 0
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311461 126592923 2 N2O2C6H9 A2B2C6D9 -143.81 3.95 -9.39 -0.24 0
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311462 126592924 1 N2C9H18 A2B9C18 9.52 1.17 -9.46 0.79 0
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311463 126592925 1 N2C17H24 A2B17C24 44.39 0.82 -9.29 0.19 0
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311464 126592926 1 N2O3C9H16 A2B3C9D16 -116.94 5.45 -9.56 0.26 0
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311465 126592928 1 ON2C11H16 AB2C11D16 -18.26 3.17 -9.34 -0.08 0
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311466 126592929 1 SO3N4C9H18 AB3C4D9E18 -127.59 1.28 -9.18 -0.26 0
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311467 126592933 1 O5C11H16 A5B11C16 -215.35 3.0 -10.03 -0.05 0
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311468 126592934 1 O2N3C13H21 A2B3C13D21 -77.28 6.71 -8.75 -0.23 0