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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146466 53694805 1 ClS2N6O10C51H59 AB2C6D10E51F59 -312.0 10.95 -8.44 -1.41 0
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146467 53695057 1 N2O4C31H36 A2B4C31D36 -71.99 3.87 -7.62 -0.04 0
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146468 53695129 2 N2O2S3C7H11 A2B2C3D7E11 -73.79 0.5 -9.07 -1.41 0
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146469 53695364 1 S2N6O8C17H18 A2B6C8D17E18 -211.98 9.73 -9.5 -1.18 0
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146470 53695365 1 FN4O6H11C15 AB4C6D11E15 -195.68 2.56 -8.94 -2.11 0
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146471 53695492 4 C7H12 A7B12 -65.29 0.65 -9.06 0.58 0
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146472 53695805 2 ON3C11H11 AB3C11D11 64.7 7.06 -9.42 -0.63 0
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146473 53695861 1 FO4C15H19 AB4C15D19 -214.1 6.06 -10.09 -0.92 0
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146474 53695894 1 PO3C32H65 AB3C32D65 -269.75 2.09 -9.51 0.61 0
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146475 53695895 1 SN2O5H6C10 AB2C5D6E10 -107.15 4.02 -9.54 -1.78 1
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146476 53695896 1 SN2O5H7C10 AB2C5D7E10 -109.97 4.62 0.0 0.0 0
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146477 53696131 1 NO2C8H9 AB2C8D9 -69.67 4.03 -9.18 -0.89 0
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146478 53696212 1 O3C8H12 A3B8C12 -116.65 6.42 -10.23 -0.48 0
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146479 53696393 2 SO2C16H30 AB2C16D30 -289.73 4.1 -8.97 -0.31 0
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146480 53696394 1 O7H14C20 A7B14C20 -238.1 10.23 -10.58 -1.91 0
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146481 53696395 1 SN2O5C16H28 AB2C5D16E28 -212.68 5.91 -8.87 -0.88 0
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146482 53696396 2 NO2C13H20 AB2C13D20 -153.66 3.18 -8.69 -0.15 0
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146483 53696397 1 FSO2N3H6C7 ABC2D3E6F7 -61.35 6.02 -9.43 -0.92 0
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146484 53696398 1 O4N5C31H31 A4B5C31D31 -73.87 5.84 -8.82 -0.48 0
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146485 53696399 1 N5O13C24H49 A5B13C24D49 -439.21 7.78 -8.73 -0.42 0
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146486 53696400 2 O2C6H7 A2B6C7 -4.72 2.61 -8.86 -1.11 0
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146487 53696401 1 N3O4C14H27 A3B4C14D27 -222.45 5.71 -9.69 0.63 0
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146488 53696494 1 NO3C7H13 AB3C7D13 -140.24 5.9 -9.2 0.05 0
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146489 53696823 6 OC2H3 AB2C3 -271.14 4.57 -11.01 -0.52 0
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146490 53697172 1 PO2C13H21 AB2C13D21 -115.42 1.08 -8.93 0.28 0
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146491 53697173 1 Cl2O2N3H5C8 A2B2C3D5E8 37.03 8.44 -9.05 -1.52 0
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146492 53697511 1 N2O5C36H44 A2B5C36D44 -158.47 4.02 -8.62 -0.68 0
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146493 53697512 1 OF5C28H35 AB5C28D35 -266.1 7.01 -9.53 -1.27 0
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146494 53697725 1 FNOC22H28 ABCD22E28 -64.18 5.27 -9.54 -0.14 1
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146495 53697944 1 SN4O9H25C26 AB4C9D25E26 -136.99 5.68 0.0 0.0 0
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146496 53698060 1 NOC9H19 ABC9D19 -64.96 3.0 -8.48 2.26 0
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146497 53698062 1 ClNO3C8H8 ABC3D8E8 -103.95 4.93 -10.11 -1.34 0
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146498 53698459 1 SN2O4C15H18 AB2C4D15E18 -118.35 3.35 -9.35 -1.52 0
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146499 53698549 1 NOS2H11C14 ABC2D11E14 67.44 5.08 -8.48 -1.14 0
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146500 53698913 1 BrNOH10C12 ABCD10E12 20.54 1.15 -9.2 -0.56 0
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146501 53698914 1 ClOSN4C17H19 ABCD4E17F19 19.57 1.99 -8.74 -0.82 0
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146502 53698940 1 FO2N3C20H34 AB2C3D20E34 -122.71 3.75 -8.77 -0.06 0
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146503 53698941 1 OC14H26 AB14C26 -75.64 3.13 -9.24 0.97 0
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146504 53698942 1 ClSO3N4C24H25 ABC3D4E24F25 -76.54 2.61 -9.3 -1.19 0
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146505 53698943 1 N4O7C32H44 A4B7C32D44 -261.89 5.29 -9.02 -0.51 0
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146506 53698944 1 O5N6C20H22 A5B6C20D22 -89.17 4.84 -9.06 -1.23 0
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146507 53698945 1 FON2C29H37 ABC2D29E37 -59.43 2.59 -8.76 -0.88 0
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146508 53699258 1 NO2C25H27 AB2C25D27 -12.65 6.77 -8.4 -0.66 0
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146509 53699272 1 SCl2O2N3H17C23 AB2C2D3E17F23 -10.26 8.46 -8.75 -1.23 0
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146510 53699273 1 NO3C16H17 AB3C16D17 -61.31 6.23 -8.78 -0.35 0
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146511 53699274 1 FO2N3H6C10 AB2C3D6E10 -66.02 4.9 -9.09 -1.22 0
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146512 53699275 1 FOC28H49 ABC28D49 -174.59 2.51 -9.46 1.05 0
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146513 53699544 1 NOC16H21 ABC16D21 -14.69 1.1 -8.7 -0.33 0
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146515 53699666 1 ClSN2O6H9C12 ABC2D6E9F12 -168.61 8.64 -9.29 -1.87 0
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146516 53699799 1 NOF3H8C9 ABC3D8E9 -188.95 4.89 -10.14 -0.9 0
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146517 53699864 1 N2O5C30H32 A2B5C30D32 -82.41 8.85 -9.47 -1.12 0
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146518 53699865 1 NOSC9H19 ABCD9E19 -63.51 4.59 -8.59 0.38 0
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146519 53699866 1 F5C8H11 A5B8C11 -241.67 2.45 -11.39 0.92 0
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146520 53699867 1 BrNOCl2H8C15 ABCD2E8F15 31.35 0.7 -9.15 -1.36 0
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146521 53699868 2 OH7C9 AB7C9 31.86 1.07 -8.55 -0.62 0
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146522 53699869 1 NO2C7H13 AB2C7D13 -108.51 2.12 -10.46 -0.09 0
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146523 53699870 1 SN3O4C17H23 AB3C4D17E23 -141.7 4.35 -9.6 -0.57 0
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146524 53699871 1 OSN4C12H14 ABC4D12E14 69.17 7.79 -8.77 -1.32 0
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146525 53699872 1 PO4N6C11H17 AB4C6D11E17 -148.46 2.26 -8.77 -0.37 0
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146526 53699873 1 NC15H25 AB15C25 -23.28 2.09 -8.04 0.74 0
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146527 53699874 1 OC8H14 AB8C14 -28.36 1.95 -8.93 0.71 0
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146528 53700585 1 S2N3Cl4O4C41H51 A2B3C4D4E41F51 -158.02 7.17 -8.38 -1.27 0
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146529 53700779 1 FN2S2O4H13C14 AB2C2D4E13F14 -151.65 5.29 -9.68 -0.98 0
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146530 53701045 1 N6O6C41H56 A6B6C41D56 -180.73 8.34 -7.0 -0.81 0
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146531 53701070 1 N2O5C29H36 A2B5C29D36 -139.13 3.53 -9.58 -1.15 1
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146532 53701254 1 NO2C7H16 AB2C7D16 -84.65 4.33 0.0 0.0 0
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146533 53701255 1 NO2C13H17 AB2C13D17 -74.41 5.44 -9.35 0.01 0
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146534 53702121 1 FNO3C15H18 ABC3D15E18 -143.97 6.07 -9.51 0.05 0
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146535 53702122 1 N4O4S4H12C15 A4B4C4D12E15 -37.59 3.96 -9.04 -1.4 0
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146536 53702132 1 C17H28 A17B28 -34.74 0.99 -9.01 0.55 0
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146537 53702133 1 SO6N16C73H114 AB6C16D73E114 -29.89 2.75 -8.16 -1.9 0
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146538 53702339 1 NSO4C8H11 ABC4D8E11 -142.77 3.0 -8.42 -0.27 0
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146539 53702340 2 O2C7H12 A2B7C12 -203.8 5.74 -10.35 -0.14 0
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146540 53702757 1 SN3O4C22H25 AB3C4D22E25 -112.76 3.47 -8.54 -0.8 0
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146541 53702758 1 O2N5C14H23 A2B5C14D23 -62.58 2.79 -9.2 -0.64 -1
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146542 53702917 1 NS2O6C10H12 AB2C6D10E12 -200.46 6.95 0.0 0.0 1
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146543 53703299 1 NOCl2C12H16 ABC2D12E16 -13.49 17.52 0.0 0.0 1
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146544 53703751 1 IO2N3C6H9 AB2C3D6E9 57.33 2.92 0.0 0.0 0
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146545 53703866 2 OC3H7 AB3C7 -110.43 1.12 -9.83 2.05 0
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146546 53703909 1 ClN3O6C23H24 AB3C6D23E24 -180.83 2.23 -9.2 -0.65 0
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146547 53703911 1 NPC6O6H12 ABC6D6E12 -321.46 7.67 -10.05 -0.53 0
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146548 53704282 1 O2H10C11 A2B10C11 -32.35 5.5 -9.59 -0.94 0
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146549 53704309 5 OC3H4 AB3C4 -203.89 5.36 -8.8 -0.17 0
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146550 53704446 2 ON2C12H14 AB2C12D14 11.22 4.11 -8.9 -0.77 1
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146551 53704528 1 N2O3S3H23C27 A2B3C3D23E27 -15.06 5.08 0.0 0.0 0
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146552 53704563 1 ClS2N3O9H16C19 AB2C3D9E16F19 -226.28 7.65 -8.76 -1.63 0
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146553 53704564 1 NOC20H33 ABC20D33 -95.55 2.91 -8.59 0.71 0
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146554 53704565 1 O2H14C19 A2B14C19 -9.6 1.99 -8.04 -0.81 0
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146555 53704594 1 O2N3C19H29 A2B3C19D29 -58.27 5.32 -8.49 -0.11 0
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146556 53704595 1 N3O6H19C20 A3B6C19D20 -178.77 5.23 -9.82 -0.68 0
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146557 53704596 1 N2O3C18H22 A2B3C18D22 -21.68 8.95 -9.51 -1.18 0
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146558 53705440 1 NS3O5H13C15 AB3C5D13E15 -109.95 8.27 -8.99 -1.67 0
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146559 53705531 1 SN4O8H26C30 AB4C8D26E30 -150.0 6.9 -9.17 -1.56 0
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146560 53705568 1 SN3O5C23H25 AB3C5D23E25 -123.85 6.99 -8.54 -0.82 0
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146561 53705569 2 N2O2C10H11 A2B2C10D11 -75.36 8.17 -8.82 -0.93 0
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146562 53705694 1 BrNO2C10H12 ABC2D10E12 -17.34 4.46 -9.0 -1.37 0
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146563 53705695 1 Si2N3O4C27H51 A2B3C4D27E51 -277.68 0.83 -8.77 0.56 0
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146564 53705868 2 N3C11H12 A3B11C12 111.59 6.08 -8.74 -0.55 0
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146565 53705869 1 FSN2C14H15 ABC2D14E15 -5.22 5.35 -8.39 -0.19 0
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146566 53705870 1 N2O4C15H18 A2B4C15D18 -46.74 3.08 -8.95 -1.66 0