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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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61401 26708939 1 SO3N5H25C27 AB3C5D25E27 8.98 3.12 -8.45 -1.5 0
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61402 26708942 1 ClO2N3H18C23 AB2C3D18E23 13.62 1.52 -8.56 -0.58 0
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61403 26708943 1 ClO2N3H18C23 AB2C3D18E23 13.37 2.36 -8.55 -0.56 0
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61404 26708948 1 NSF2O3H13C15 ABC2D3E13F15 -175.91 7.97 -9.55 -0.93 0
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61405 26708949 1 BrNSF2O3H10C14 ABCD2E3F10G14 -162.74 7.14 -9.65 -1.34 0
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61406 26708980 1 ClON4H21C25 ABC4D21E25 95.68 5.04 -9.33 -0.7 0
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61407 26708984 1 ClSO2N3H18C22 ABC2D3E18F22 45.6 3.74 -9.28 -0.94 0
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61408 26708986 1 ClSN3O3H24C26 ABC3D3E24F26 -27.86 5.84 -9.53 -1.4 0
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61409 26708988 1 ClSO2N3H18C22 ABC2D3E18F22 -8.77 5.23 -9.19 -1.52 0
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61410 26708990 1 ClN2O2H23C26 AB2C2D23E26 -19.12 5.76 -8.67 -0.42 0
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61411 26708994 1 ClN2O2H23C24 AB2C2D23E24 -36.67 4.96 -9.39 -0.29 0
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61412 26709002 1 ClNO4C24H24 ABC4D24E24 -98.91 7.35 -8.88 -0.06 0
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61413 26709023 1 BrFON3H15C21 ABCD3E15F21 17.3 2.51 -8.44 -1.21 0
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61414 26709093 1 BrNO5C18H20 ABC5D18E20 -148.47 2.77 -8.1 -0.63 0
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61415 26709097 1 ON4C24H28 AB4C24D28 47.88 3.25 -9.17 -0.51 0
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61416 26709106 1 BrOSN6H17C20 ABCD6E17F20 138.82 7.97 -8.91 -0.93 0
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61417 26709110 1 SO3N5C23H23 AB3C5D23E23 7.7 7.44 -9.14 -1.26 1
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61418 26709114 1 BrFON3C18H20 ABCD3E18F20 -6.7 2.91 0.0 0.0 0
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61419 26709119 1 SO2N5C20H23 AB2C5D20E23 36.89 3.67 -8.1 -0.88 0
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61420 26709123 1 SO3N5C24H29 AB3C5D24E29 -37.78 7.22 -8.56 -1.41 0
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61421 26709143 1 FSO3N4C23H29 ABC3D4E23F29 -119.08 4.28 -8.02 -0.82 0
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61422 26709145 1 FSO3N4C23H29 ABC3D4E23F29 -119.96 6.97 -7.98 -1.15 0
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61423 26709149 1 FO2N5C22H24 AB2C5D22E24 -17.49 4.26 -8.15 -0.95 0
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61424 26709153 1 SN3O3C23H27 AB3C3D23E27 -60.06 6.68 -9.42 -1.29 0
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61425 26709165 1 ClSO3N5H22C24 ABC3D5E22F24 -4.32 6.57 -9.11 -1.12 0
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61426 26709169 1 BrN2S2O3C18H27 AB2C2D3E18F27 -116.21 2.16 -9.54 -1.16 0
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61427 26709184 2 NOC9H13 ABC9D13 -99.95 3.61 -9.64 -0.51 0
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61428 26709227 1 SO2N3C21H29 AB2C3D21E29 -103.5 4.92 -8.52 -0.75 0
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61429 26709288 1 O2N5H25C28 A2B5C25D28 59.71 3.33 -9.32 -1.15 0
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61430 26709289 1 F2O2N3H19C20 A2B2C3D19E20 -105.92 3.79 -9.24 -0.85 0
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61431 26709342 1 S2N3O3C23H25 A2B3C3D23E25 -67.2 2.68 -8.47 -0.81 0
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61432 26709344 1 SN2O2H18C19 AB2C2D18E19 -11.07 2.82 -8.57 -0.64 0
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61433 26709378 1 SN2O3H18C21 AB2C3D18E21 -36.79 1.05 -8.57 -1.31 0
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61434 26709379 1 SN2O2H18C22 AB2C2D18E22 11.55 2.51 -8.56 -0.66 0
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61435 26709389 1 S2N3O4C24H27 A2B3C4D24E27 -97.49 5.67 -8.53 -0.8 0
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61436 26709397 1 S2N3O4C22H23 A2B3C4D22E23 -70.17 5.15 -8.41 -0.96 1
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61437 26709406 1 N3O5C21H32 A3B5C21D32 -169.07 4.34 0.0 0.0 0
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61438 26709409 1 N3O6C23H33 A3B6C23D33 -251.15 4.13 -8.57 -0.11 0
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61439 26709422 1 OSN4H14C19 ABC4D14E19 77.54 4.22 -8.63 -1.62 0
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61440 26709424 1 S2N3O3C23H23 A2B3C3D23E23 -25.87 11.18 -8.78 -0.93 0
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61441 26709430 1 N3O5C24H29 A3B5C24D29 -165.68 1.55 -8.2 -0.1 0
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61442 26709431 1 BrSN3O3H16C21 ABC3D3E16F21 -37.51 4.65 -8.45 -1.92 0
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61443 26709437 1 BrN2O4C18H23 AB2C4D18E23 -167.35 5.03 -9.07 -0.2 0
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61444 26709440 1 S2N3O3C21H21 A2B3C3D21E21 -59.84 5.7 -8.43 -0.6 0
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61445 26709472 1 SN3O4C24H31 AB3C4D24E31 -125.65 1.49 -8.77 -0.92 1
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61446 26709473 1 ON2F3C22H26 AB2C3D22E26 -160.57 7.6 0.0 0.0 0
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61447 26709474 1 ON2F3C22H25 AB2C3D22E25 -178.99 6.09 -8.77 -0.61 1
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61448 26709475 1 N2O4C25H35 A2B4C25D35 -116.68 7.86 0.0 0.0 0
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61449 26709476 1 N2O4C25H34 A2B4C25D34 -135.73 1.69 -8.71 0.17 1
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61450 26709507 1 SN3O4C27H38 AB3C4D27E38 -119.81 4.35 0.0 0.0 0
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61451 26709508 1 SN3O4C27H37 AB3C4D27E37 -134.87 3.16 -8.61 -0.63 1
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61452 26709511 3 NOC8H10 ABC8D10 -63.45 5.06 0.0 0.0 0
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61453 26709512 1 N3O3C24H29 A3B3C24D29 -86.12 5.69 -8.77 -0.29 1
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61454 26709529 1 N2O4C27H31 A2B4C27D31 -103.88 6.88 0.0 0.0 0
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61455 26709587 1 O3N5C26H31 A3B5C26D31 6.51 10.51 -8.86 -0.79 0
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61456 26709589 1 OSN3C24H27 ABC3D24E27 21.41 3.53 -8.79 -0.71 1
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61457 26709590 1 OSN3C25H30 ABC3D25E30 30.09 7.86 0.0 0.0 0
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61458 26709593 1 SO2N4C22H26 AB2C4D22E26 15.45 3.82 -8.78 -0.85 0
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61459 26709646 1 N2O3C21H24 A2B3C21D24 -102.02 6.68 -8.6 0.06 0
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61460 26709654 1 O2Cl3N3H14C17 A2B3C3D14E17 -47.0 6.9 -8.73 -1.39 0
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61461 26709666 1 N4O4C23H26 A4B4C23D26 -61.77 6.9 -8.63 -1.0 0
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61462 26709670 1 ClN2S2O3C15H15 AB2C2D3E15F15 -80.56 6.39 -9.14 -0.86 0
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61463 26709742 1 O2N4C17H18 A2B4C17D18 7.56 7.65 -8.42 -0.83 0
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61464 26709748 1 ClNO4C20H24 ABC4D20E24 -140.75 6.57 -8.36 -0.49 0
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61465 26709749 1 N3O4H17C19 A3B4C17D19 -28.62 8.34 -8.91 -1.59 0
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61466 26709750 2 N2O2C11H12 A2B2C11D12 -47.14 10.33 -8.84 -0.82 0
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61467 26709751 1 O2N3H19C20 A2B3C19D20 -27.42 3.84 -8.31 -0.09 0
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61468 26709756 1 SN2O4C24H32 AB2C4D24E32 -146.32 3.11 -8.32 -0.42 0
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61469 26709766 2 ClNOH8C9 ABCD8E9 -62.03 6.78 -8.82 -0.33 0
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61470 26709772 1 Cl2N2O2H14C17 A2B2C2D14E17 -53.58 5.68 -8.8 -0.83 0
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61471 26709793 1 SN3O4C23H27 AB3C4D23E27 -122.72 10.69 -8.8 -0.96 0
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61472 26709810 1 F2N2O4H20C21 A2B2C4D20E21 -208.23 7.12 -8.73 -0.8 0
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61473 26709830 1 SN3O4C19H21 AB3C4D19E21 -112.33 10.22 -8.87 -0.94 0
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61474 26709831 1 N2O3C19H22 A2B3C19D22 -103.73 4.39 -8.21 -0.31 0
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61475 26709832 1 SN3O4C20H23 AB3C4D20E23 -124.74 8.5 -8.78 -0.26 0