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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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424467 135122797 1 OF3N4C13H13 AB3C4D13E13 -127.58 5.16 -8.33 -0.59 0
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424468 135122800 1 SO2F3N6C29H31 AB2C3D6E29F31 -131.62 4.33 -8.81 -0.69 0
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424469 135122802 1 SO2F3N6C29H31 AB2C3D6E29F31 -130.69 5.21 -8.75 -0.66 0
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424470 135122804 1 F3N3O3H12C14 A3B3C3D12E14 -182.26 7.22 -8.77 -0.91 0
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424471 135122811 1 OBr3C12H23 AB3C12D23 -92.85 2.66 -10.5 -1.06 0
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424472 135122812 1 N3O5C23H35 A3B5C23D35 -221.29 7.87 -9.56 0.08 0
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424473 135122814 1 N2O2C9H12 A2B2C9D12 -63.53 1.84 -10.37 -1.23 0
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424474 135122825 1 N3O3C17H25 A3B3C17D25 -96.47 3.65 -9.41 -0.33 0
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424475 135122828 1 SO2F3N6H25C27 AB2C3D6E25F27 -91.32 3.58 -8.7 -1.25 0
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424476 135122829 2 NC8H8 AB8C8 53.28 3.98 -8.34 -0.5 0
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424477 135122832 1 ClO3F6N6H23C24 AB3C6D6E23F24 -379.64 5.75 -8.82 -1.19 0
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424478 135122838 4 NOC6H8 ABC6D8 -149.88 8.44 -9.35 -1.12 1
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424479 135122839 1 ON7C25H30 AB7C25D30 67.81 1.97 0.0 0.0 0
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424480 135122841 1 OCl3C12H23 AB3C12D23 -124.46 2.88 -10.51 -0.06 0
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424481 135122844 1 N4O5C20H26 A4B5C20D26 -159.31 6.65 -9.47 -1.35 0
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424482 135122854 1 N3O6C24H29 A3B6C24D29 -201.11 5.86 -9.57 -1.45 0
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424483 135122857 1 N3O3C32H43 A3B3C32D43 -63.67 3.89 -8.67 0.23 0
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424484 135122859 1 N3O3C32H43 A3B3C32D43 -65.73 3.13 -8.64 0.28 0
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424485 135122862 1 NO3C8H11 AB3C8D11 -104.87 2.28 -10.2 -0.55 0
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424486 135122864 1 O2F3N3H12C15 A2B3C3D12E15 -153.57 2.46 -9.05 -1.26 0
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424487 135122867 1 ClOF3N3H17C19 ABC3D3E17F19 -114.93 1.79 -9.49 -1.02 0
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424488 135122870 2 NOC4H6 ABC4D6 -60.34 2.95 -9.67 -0.3 0
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424489 135122873 1 ON3H17C23 AB3C17D23 93.61 4.08 -8.19 -0.9 0
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424490 135122874 1 ClOSF5H5N5C14 ABCD5E5F5G14 -157.65 5.72 -9.77 -2.21 0
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424491 135122876 1 FNO2C8H14 ABC2D8E14 -132.29 3.17 -9.43 0.71 0
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424492 135122878 1 FNSO3C11H16 ABCD3E11F16 -150.1 6.38 -9.66 -0.74 0
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424493 135122879 1 SN2O4C16H20 AB2C4D16E20 -132.57 8.0 -9.18 -0.64 0
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424494 135122897 1 BrON2F3H14C15 ABC2D3E14F15 -162.36 1.32 -8.74 -0.74 0
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424495 135122903 1 NO2P2C8H21 AB2C2D8E21 -62.63 2.88 -8.57 1.23 0
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424496 135122904 2 NOC6H7 ABC6D7 -47.34 2.8 -9.23 -0.82 0
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424497 135122909 1 SN5O8C39H41 AB5C8D39E41 -188.49 13.14 -9.61 -1.09 0
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424498 135122914 1 F2O5C21H24 A2B5C21D24 -278.16 6.98 -8.7 -0.21 0
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424499 135122915 1 N4O5C22H30 A4B5C22D30 -169.36 8.6 -9.49 -0.98 0
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424500 135122917 1 OSF3N6C25H25 ABC3D6E25F25 -73.74 3.62 -8.74 -1.21 0
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424501 135122919 1 OSCl2N3H9C11 ABC2D3E9F11 19.29 4.99 -9.34 -0.86 0
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424502 135122927 1 FNOC13H18 ABCD13E18 -55.91 2.03 -9.22 0.34 1
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424503 135122935 1 ClSN3O4H13C15 ABC3D4E13F15 -75.59 5.06 0.0 0.0 0
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424504 135122942 1 SF2N3O4C23H25 AB2C3D4E23F25 -223.04 1.55 -8.4 -1.28 0
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424505 135122948 1 BrINOH9C11 ABCDE9F11 6.97 1.28 -9.17 -1.32 0
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424506 135122951 1 F2N3O4C37H37 A2B3C4D37E37 -151.15 6.48 -8.24 -0.56 0
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424507 135122955 1 O3N5C30H41 A3B5C30D41 -63.33 4.64 -8.9 0.02 0
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424508 135122957 1 O3N4C27H30 A3B4C27D30 -27.34 3.9 -8.56 -0.63 0
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424509 135122960 1 SN2O4C16H20 AB2C4D16E20 -133.17 7.25 -9.3 -0.9 0
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424510 135122963 1 N3O5C21H31 A3B5C21D31 -210.92 5.9 -9.54 0.05 0
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424511 135122966 1 NO2H15C16 AB2C15D16 37.26 5.73 -9.72 -1.18 0
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424512 135122967 1 ClSF2N3H4C8 ABC2D3E4F8 -25.38 2.82 -9.5 -0.98 0
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424513 135122968 1 NO2C5H13 AB2C5D13 -116.1 1.6 -9.37 1.88 0
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424514 135122970 1 SF3N4C18H25 AB3C4D18E25 -134.42 4.7 -8.7 -0.88 0
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424515 135122972 1 O3N4C34H36 A3B4C34D36 -12.87 2.28 -8.46 -0.72 0
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424516 135122981 1 F2O3N4H16C21 A2B3C4D16E21 -34.45 3.6 -9.27 -1.46 0
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424517 135122983 1 BrN4O4H23C28 AB4C4D23E28 45.53 4.68 -8.98 -1.6 0
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424518 135122984 1 N2O5C17H20 A2B5C17D20 -142.07 6.26 -9.84 -1.42 0
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424519 135122985 1 OF2N3H21C27 AB2C3D21E27 -12.07 2.11 -8.93 -0.96 0
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424520 135122990 2 ON2C12H13 AB2C12D13 22.41 2.27 -8.54 -0.65 0
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424521 135122994 1 SN4O5C28H36 AB4C5D28E36 -144.34 6.55 -9.26 -0.58 0
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424522 135122995 1 SN4O8C39H40 AB4C8D39E40 -194.92 2.04 -9.76 -1.23 0
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424523 135122996 1 BrINO2H17C19 ABCD2E17F19 -6.51 2.0 -8.8 -1.26 0
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424524 135122998 1 SN4O8C40H42 AB4C8D40E42 -208.8 5.36 -9.31 -0.75 0
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424525 135123000 1 BrNF2H6C10 ABC2D6E10 -40.88 1.88 -9.08 -0.89 0
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424526 135123001 1 O3N5H15C19 A3B5C15D19 63.89 3.61 -9.55 -1.68 0
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424527 135123013 1 SN5O8C39H41 AB5C8D39E41 -184.87 9.74 -9.25 -1.43 0
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424528 135123015 1 SF3N4O5C30H37 AB3C4D5E30F37 -307.25 9.83 -9.33 -0.96 0
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424529 135123016 1 O2N3C7H11 A2B3C7D11 -48.17 4.39 -10.51 -0.16 0
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424530 135123019 1 F2N3O5C26H31 A2B3C5D26E31 -222.1 5.19 -8.72 -0.14 0
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424531 135123025 1 O4C17H22 A4B17C22 -133.14 1.63 -9.26 0.14 0
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424532 135123029 1 SN3O5C24H29 AB3C5D24E29 -144.59 3.93 -8.22 -0.72 0
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424533 135123033 1 SN2C9H12 AB2C9D12 26.28 1.2 -8.58 -0.47 0
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424534 135123043 1 SN2C9H12 AB2C9D12 26.95 1.31 -8.56 -0.45 0
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424535 135123046 1 SN4O6C28H36 AB4C6D28E36 -182.91 4.77 -9.49 -0.64 0
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424536 135123050 1 SO2F3N3C16H18 AB2C3D3E16F18 -207.15 5.68 -8.73 -0.87 0
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424537 135123053 1 ClNOC13H20 ABCD13E20 -67.5 7.03 -9.44 0.29 0
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424538 135123056 1 N2O3C12H16 A2B3C12D16 -108.19 4.77 -9.88 -0.76 0
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424539 135123057 1 NP2O10C16H29 AB2C10D16E29 -430.46 6.03 -9.86 -0.92 0
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424540 135123058 1 NP2O9C15H27 AB2C9D15E27 -404.6 8.62 -9.46 -0.43 0
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424541 135123059 1 NP2O9C19H35 AB2C9D19E35 -443.91 11.6 -9.18 0.1 0