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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167506 74838091 2 N2O2C11H14 A2B2C11D14 -114.87 2.44 -8.81 0.16 0
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167507 74838439 1 F2N3O3C21H23 A2B3C3D21E23 -122.28 2.77 -8.62 -1.1 0
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167508 74838696 1 N3O4C13H17 A3B4C13D17 -111.65 4.92 -8.44 0.2 0
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167509 74839630 1 ON3F5H16C18 AB3C5D16E18 -232.1 8.28 -9.18 -1.06 0
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167510 74840064 1 ClFON3C17H17 ABCD3E17F17 -31.16 7.93 -8.96 -0.83 0
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167511 74840265 1 N3O5C25H29 A3B5C25D29 -142.51 7.33 -8.61 -0.47 0
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167512 74840872 1 ClO2N3C22H26 AB2C3D22E26 -32.25 5.8 -8.79 -0.2 0
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167513 74840873 1 O2N3C22H33 A2B3C22D33 -69.37 4.51 -8.51 -0.03 0
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167514 74840874 1 O2N3C23H29 A2B3C23D29 -29.36 2.17 -8.52 -0.08 0
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167515 74841314 1 N3O4C24H27 A3B4C24D27 -45.66 8.1 -9.59 -1.35 0
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167516 74841315 1 N3O6C23H27 A3B6C23D27 -115.52 4.87 -8.3 -1.72 0
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167517 74841316 1 ClF3N3O3C32H33 AB3C3D3E32F33 -222.86 6.88 -9.22 -0.59 0
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167518 74841317 3 FNOC11H12 ABCD11E12 -220.33 5.01 -9.15 -0.53 0
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167519 74841330 1 N2O2Cl3C31H31 A2B2C3D31E31 -39.27 2.55 -9.25 -0.94 0
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167520 74841560 1 ClSO2N3H14C16 ABC2D3E14F16 74.14 2.11 -9.27 -1.86 0
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167521 74841561 1 O2N3C21H31 A2B3C21D31 -97.51 8.52 -9.06 0.08 0
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167522 74841562 1 N3O3H23C24 A3B3C23D24 3.67 6.99 -9.42 -1.4 0
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167523 74841563 1 ClO2N4C18H23 AB2C4D18E23 -44.51 2.27 -9.47 -1.58 0
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167524 74841564 1 ClO2N4C20H27 AB2C4D20E27 -58.98 6.41 -9.04 -1.98 0
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167525 74842280 1 BrClO2N5C21H31 ABC2D5E21F31 -93.27 5.78 -9.23 -0.41 0
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167526 74842430 1 FO2N3H24C27 AB2C3D24E27 -29.43 5.37 -9.24 -0.78 0
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167527 74843177 2 N2C10H11 A2B10C11 94.97 6.04 -8.62 -0.74 1
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167528 74843942 1 SN2O4C20H23 AB2C4D20E23 -81.92 3.19 0.0 0.0 0
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167529 74843996 1 ClFN3O3C23H27 ABC3D3E23F27 -121.69 3.35 -9.27 -0.54 1
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167530 74843997 1 SN2O5C22H27 AB2C5D22E27 -128.9 4.29 0.0 0.0 0
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167531 74844164 2 NO2C12H12 AB2C12D12 -56.31 1.32 -8.82 -0.66 1
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167532 74844225 1 O4N5C23H28 A4B5C23D28 -47.03 6.29 0.0 0.0 1
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167533 74844226 1 ClO2N5C25H31 AB2C5D25E31 0.39 3.65 0.0 0.0 0
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167534 74844252 1 O3N4C20H22 A3B4C20D22 -79.14 3.06 -8.98 -0.53 1
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167535 74844290 1 NS2O4C16H24 AB2C4D16E24 -142.12 6.12 0.0 0.0 1
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167536 74844506 1 S2N3O5C23H32 A2B3C5D23E32 -167.16 7.81 0.0 0.0 1
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167537 74844507 1 S2N3O6C19H26 A2B3C6D19E26 -186.28 6.93 0.0 0.0 1
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167538 74844508 1 ON4C26H31 AB4C26D31 69.56 17.13 0.0 0.0 0
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167539 74844509 1 ON4C26H30 AB4C26D30 49.41 4.61 -8.66 -1.16 1
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167540 74844510 1 O2N3C26H34 A2B3C26D34 -8.46 5.79 0.0 0.0 0
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167541 74844702 1 ClO3N5C23H30 AB3C5D23E30 -70.6 7.19 -9.46 -0.52 1
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167542 74844856 1 SN2O5C17H21 AB2C5D17E21 -108.08 8.63 0.0 0.0 1
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167543 74845045 1 NS2O4C19H24 AB2C4D19E24 -108.41 6.21 0.0 0.0 1
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167544 74845046 1 FN2O2C19H30 AB2C2D19E30 -124.7 4.88 0.0 0.0 1
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167545 74845047 1 ON6C21H33 AB6C21D33 23.44 5.04 0.0 0.0 1
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167546 74845048 1 NS2O4C20H26 AB2C4D20E26 -118.77 6.31 0.0 0.0 1
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167547 74845049 1 NS2O5C20H26 AB2C5D20E26 -147.81 7.42 0.0 0.0 0
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167548 74845151 1 SN2O3C22H26 AB2C3D22E26 -82.16 2.56 -9.14 -0.06 1
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167549 74845152 1 SN2O5C22H27 AB2C5D22E27 -126.15 3.47 0.0 0.0 0
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167550 74845169 1 SN2O4C19H22 AB2C4D19E22 -115.04 2.28 -9.21 0.0 1
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167551 74845170 1 FSN2O3C21H24 ABC2D3E21F24 -110.76 3.39 0.0 0.0 0
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167552 74845178 1 SN2O5C22H24 AB2C5D22E24 -146.36 2.38 -8.94 -0.33 1
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167553 74845206 1 O2N3C24H38 A2B3C24D38 -83.87 4.43 0.0 0.0 0
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167554 74845511 1 N2O3C25H28 A2B3C25D28 -75.6 3.5 -9.3 -0.61 0
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167555 74845512 1 N2O3C25H28 A2B3C25D28 -75.84 6.06 -9.17 -0.42 0
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167556 74845513 1 N2O3H28C29 A2B3C28D29 -42.2 6.18 -9.02 -0.44 0
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167557 74845514 1 NO5C27H29 AB5C27D29 -148.92 4.99 -8.79 -0.55 0
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167558 74845515 1 O2N3C12H21 A2B3C12D21 -111.68 4.95 -9.41 0.03 0
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167559 74845516 1 SO2N4C13H14 AB2C4D13E14 -36.71 5.79 -9.31 -0.96 0
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167560 74845517 1 N3O4C11H19 A3B4C11D19 -191.08 3.72 -9.79 -0.02 0
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167561 74845519 1 SO4N5C28H33 AB4C5D28E33 -58.45 5.92 -8.72 -0.92 0
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167562 74845601 1 O2N3H23C24 A2B3C23D24 -11.79 8.1 -9.19 -0.75 0
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167563 74845626 1 O3N4C17H20 A3B4C17D20 -53.18 3.27 -9.22 -1.39 0
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167564 74845627 1 N3O4C25H31 A3B4C25D31 -132.04 8.73 -9.04 -0.06 0
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167565 74845628 1 ClO2N3C16H20 AB2C3D16E20 -78.52 7.77 -9.73 -0.34 0
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167566 74845629 1 O2N3C17H23 A2B3C17D23 -82.83 3.87 -9.55 0.01 0
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167567 74845747 1 FSN3O3C20H22 ABC3D3E20F22 -124.4 9.04 -9.5 -0.88 0
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167568 74845748 1 SN3O3C22H35 AB3C3D22E35 -147.89 6.55 -9.47 0.13 0
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167569 74845749 1 SN3O3C16H23 AB3C3D16E23 -120.16 3.14 -9.46 0.06 0
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167570 74845750 1 SN3O3C18H27 AB3C3D18E27 -128.36 6.03 -9.49 0.09 0
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167571 74845751 1 SN3O3C22H27 AB3C3D22E27 -90.57 7.22 -8.75 -0.41 0
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167572 74845752 1 SN3O3C22H27 AB3C3D22E27 -89.38 2.65 -8.7 -0.03 0
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167573 74846127 1 ClN3O3C23H26 AB3C3D23E26 -94.72 7.11 -9.21 -0.42 0
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167574 74846291 1 SN3O3C25H27 AB3C3D25E27 -69.05 6.97 -9.25 -0.98 0
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167575 74846342 1 ClFNO3H23C24 ABCD3E23F24 -127.72 4.62 -9.44 -0.39 0
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167576 74846343 1 FN2O5H23C24 AB2C5D23E24 -122.29 8.04 -9.7 -1.48 0
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167577 74846344 1 FNO4C22H22 ABC4D22E22 -134.11 1.76 -9.31 -0.22 0
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167578 74846345 1 ClFN2O5H22C24 ABC2D5E22F24 -129.69 10.16 -9.64 -1.62 0
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167579 74846740 1 N3O4C26H35 A3B4C26D35 -134.61 7.1 -9.18 -0.46 0
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167580 74846741 1 N3O4C30H41 A3B4C30D41 -155.73 5.37 -9.06 -0.18 0
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167581 74846742 1 FN3O4C30H34 AB3C4D30E34 -151.37 7.29 -9.08 -0.16 0
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167582 74846743 1 N3O6C28H37 A3B6C28D37 -229.76 7.64 -9.11 -0.7 0
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167583 74846744 1 SN2O5C33H52 AB2C5D33E52 -248.99 9.13 -9.25 -0.59 0
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167584 74846745 1 SN3O6C34H39 AB3C6D34E39 -177.19 8.81 -9.13 -1.42 0
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167585 74846746 1 SN2O6C27H38 AB2C6D27E38 -245.7 8.63 -8.99 -0.65 0
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167586 74846747 1 FO2N3C16H20 AB2C3D16E20 -118.06 3.64 -9.61 -0.45 0
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167587 74846879 1 ClO3N4H21C23 AB3C4D21E23 -37.21 5.88 -8.87 -0.98 0
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167588 74846880 1 ClO3N4H17C21 AB3C4D17E21 -31.12 5.58 -9.1 -1.18 0
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167589 74846881 1 ClO3N4H21C23 AB3C4D21E23 -37.56 7.24 -9.01 -0.99 0
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167590 74846882 1 ClO3N4H19C26 AB3C4D19E26 3.54 7.42 -8.72 -1.37 0
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167591 74846883 1 FO3N4H19C26 AB3C4D19E26 -36.63 7.64 -8.88 -1.47 0
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167592 74846884 1 O3N4H24C28 A3B4C24D28 -0.62 5.06 -8.81 -1.02 0
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167593 74846885 1 ClO3N5H20C28 AB3C5D20E28 29.48 5.02 -9.26 -1.16 0
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167594 74846886 1 ClO4N5H18C23 AB4C5D18E23 -31.15 9.64 -8.99 -1.25 0
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167595 74846887 1 ClO3N5H18C27 AB3C5D18E27 37.49 10.47 -9.01 -1.42 0
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167596 74846888 1 O5N6H20C24 A5B6C20D24 -3.07 13.37 -9.5 -1.51 0
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167597 74846889 1 ClO3N5H20C24 AB3C5D20E24 -6.65 10.63 -8.97 -1.16 0
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167598 74846890 1 Cl2O3N5H19C24 A2B3C5D19E24 -12.73 4.11 -9.07 -1.25 0
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167599 74846891 1 O3N4H24C28 A3B4C24D28 0.17 7.48 -8.87 -1.47 0
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167600 74846892 1 ClN5O5H22C28 AB5C5D22E28 -14.71 7.56 -9.31 -2.01 0
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167601 74846893 1 ClO3N4H25C29 AB3C4D25E29 -13.12 4.13 -9.22 -0.99 0
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167602 74846894 1 BrCl3O3N4H20C28 AB3C3D4E20F28 -18.13 6.03 -9.06 -1.68 0
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167603 74846895 1 Cl2N5O5H21C28 A2B5C5D21E28 -22.56 8.15 -9.24 -2.04 0
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167604 74846896 2 N2O2H14C15 A2B2C14D15 -44.94 5.18 -8.64 -0.99 0
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167605 74846897 1 N5O5H23C28 A5B5C23D28 -4.76 9.11 -9.26 -1.9 0