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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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6509 68785 1 NSO5C21H23 ABC5D21E23 -148.49 5.39 -9.54 -1.51 0
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6510 68788 1 SO2N4C17H24 AB2C4D17E24 -41.04 3.01 -8.17 0.02 0
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6511 68789 1 FNO2C17H26 ABC2D17E26 -150.48 5.7 -9.27 -0.08 0
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6512 68791 1 ON3C4H5 AB3C4D5 29.5 7.8 -10.12 -0.69 0
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6513 68792 1 SN3O3C12H13 AB3C3D12E13 15.35 4.39 -8.86 -1.37 0
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6514 68793 2 N2O2C6H9 A2B2C6D9 -162.25 3.83 -9.51 0.12 0
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6515 68794 1 ClNO3C15H18 ABC3D15E18 -129.0 5.74 -9.33 -0.27 0
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6516 68795 1 O5C21H28 A5B21C28 -230.84 10.92 -10.53 -1.2 0
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6517 68796 1 O11N13C48H67 A11B13C48D67 -441.56 11.85 -9.36 -0.51 0
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6518 68797 1 NSO2C5H9 ABC2D5E9 -89.85 3.76 -9.16 0.12 0
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6519 68798 2 ON2C14H15 AB2C14D15 48.18 4.2 -8.71 -0.88 0
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6520 68802 1 N2C15H18 A2B15C18 28.5 2.11 -7.96 0.3 0
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6521 68804 1 ClN3O3C5H10 AB3C3D5E10 -92.97 4.03 -10.22 -0.82 0
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6522 68806 1 ClO2C14H15 AB2C14D15 -84.72 2.7 -9.28 -0.48 0
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6523 68807 1 ClO4C37H55 AB4C37D55 -232.56 5.12 -8.46 -0.16 0
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6524 68808 1 ClNSNa2H4O4C7 ABCD2E4F4G7 -179.29 3.58 -7.89 -0.02 0
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6525 68809 1 ClNSO4H6C7 ABCD4E6F7 -104.59 1.53 -10.24 -1.66 0
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6526 68811 1 N2O3C17H26 A2B3C17D26 -127.7 4.18 -8.96 -0.07 0
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6527 68813 1 N5C12H17 A5B12C17 63.72 8.32 -8.53 -0.33 0
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6528 68814 1 N5O5C27H31 A5B5C27D31 -161.06 8.61 -9.12 -0.03 0
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6529 68815 1 O5N7C16H19 A5B7C16D19 -175.76 7.91 -9.46 -1.18 0
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6530 68816 1 N10O15C35H48 A10B15C35D48 -646.21 8.97 -8.79 -0.34 0
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6531 68818 1 SN3C11H11 AB3C11D11 67.86 5.61 -8.65 -0.47 0
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6532 68820 1 NP2C5O7H17 AB2C5D7E17 -414.18 3.18 -9.02 0.96 0
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6533 68821 1 NPO4C5H14 ABC4D5E14 -241.06 6.77 -9.47 1.24 0
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6534 68824 1 N2Cl3H13C18 A2B3C13D18 69.04 4.57 -9.46 -0.88 0
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6535 68826 1 N6H10C11 A6B10C11 145.62 6.54 -9.41 -0.77 0
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6536 68827 1 O5C15H22 A5B15C22 -174.39 6.91 -9.82 -0.3 0
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6537 68830 1 N2O3H8C13 A2B3C8D13 -56.91 7.63 -9.34 -1.63 0
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6538 68832 1 Cl2N5H9C15 A2B5C9D15 129.18 5.67 -9.76 -1.7 0
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6539 68833 1 O2S2N3C21H25 A2B2C3D21E25 -19.66 4.06 -8.67 -0.91 0
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6540 68834 1 ClNSO4C14H16 ABCD4E14F16 -154.31 4.65 -9.24 -0.54 0
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6541 68836 1 N3O4C15H19 A3B4C15D19 -135.86 2.14 -9.26 0.08 0
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6542 68837 1 NO10C26H27 AB10C26D27 -384.88 7.96 -9.4 -2.3 0
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6543 68841 1 NPC3O6H8 ABC3D6E8 -324.18 4.97 -10.67 -0.06 0
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6544 68842 1 NO2C10H15 AB2C10D15 -94.2 3.01 -9.41 -0.57 0
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6545 68844 1 N3S3O5C12H21 A3B3C5D12E21 -164.23 3.77 -9.27 -1.63 0
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6546 68845 1 NOC9H17 ABC9D17 -58.83 3.9 -10.08 1.17 0
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6547 68847 1 SO2N4C19H28 AB2C4D19E28 -50.25 3.32 -8.22 0.07 0
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6548 68848 1 SO2N4C18H26 AB2C4D18E26 -37.12 6.06 -8.06 0.23 0
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6549 68852 1 O4N6C23H30 A4B6C23D30 -112.67 6.27 -8.2 -0.64 0
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6550 68853 1 N5C22H27 A5B22C27 62.89 2.64 -8.15 -0.88 0
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6551 68855 1 FN2O3C30H35 AB2C3D30E35 -88.88 3.35 -8.39 -0.77 0
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6552 68863 1 NO2C19H29 AB2C19D29 -83.31 2.17 -8.73 0.31 0
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6553 68869 1 FNO3H12C16 ABC3D12E16 -102.42 3.82 -9.54 -1.4 0
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6554 68870 1 ClSN2O4C21H25 ABC2D4E21F25 -142.19 4.52 -8.91 -0.92 0
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6555 68871 1 NOCl2C17H17 ABC2D17E17 -10.83 4.39 -8.79 -0.12 0
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6556 68872 1 O3H10C13 A3B10C13 -34.54 4.79 -9.24 -0.89 0
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6557 68874 2 NO2C12H15 AB2C12D15 -130.71 5.69 -8.17 -0.34 0
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6558 68875 1 O4N5C12H13 A4B5C12D13 -57.49 9.66 -9.58 -1.36 0
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6559 68876 1 ClNO5C20H26 ABC5D20E26 -201.41 7.5 -8.57 -1.04 0
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6560 68879 1 O4H14C17 A4B14C17 -125.98 7.27 -9.46 -1.2 0
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6561 68880 1 SN3O4C16H25 AB3C4D16E25 -154.17 8.67 -8.93 -0.73 0
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6562 68883 1 ClN2O2C24H37 AB2C2D24E37 -114.65 4.69 -8.62 0.0 0
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6563 68886 1 BrN2O5C11H13 AB2C5D11E13 -196.48 6.01 -9.33 -1.04 0
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6564 68894 1 ClN2O3C19H21 AB2C3D19E21 -72.07 7.47 -9.24 -0.76 0
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6565 68896 2 NOC9H10 ABC9D10 -26.46 4.39 -8.23 -0.54 0
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6566 68897 1 N2O12C33H40 A2B12C33D40 -479.63 9.89 -9.03 -1.9 0
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6567 68898 1 ClN4O5C19H21 AB4C5D19E21 -166.05 6.81 -9.12 -0.67 0
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6568 68899 1 ON2C14H16 AB2C14D16 20.12 2.54 -8.92 -0.24 0
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6569 68900 1 ON2C21H28 AB2C21D28 -21.2 4.06 -8.86 -0.16 0
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6570 68908 1 NO4C9H11 AB4C9D11 -157.71 4.0 -9.35 -0.52 0
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6571 68911 1 O5C16H26 A5B16C26 -174.58 2.91 -8.91 0.38 0
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6572 68912 2 NOC9H14 ABC9D14 -98.77 3.19 -8.47 0.38 0
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6573 68944 1 N3O3C7H11 A3B3C7D11 -32.7 5.86 -10.02 -1.12 0
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6574 68954 1 ON2C19H26 AB2C19D26 -19.4 3.55 -8.84 -0.55 0
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6575 68984 1 CClBr3 ABC3 19.92 0.1 -10.92 -2.09 0
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6576 68986 1 NC5H13 AB5C13 -29.36 1.77 -9.22 3.65 0
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6577 69017 1 O4C5H6 A4B5C6 -157.24 3.78 -11.36 -0.46 0
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6578 69018 1 BrOC3H5 ABC3D5 -48.59 3.47 -10.72 -0.74 0
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6579 69020 1 OC2N2H6 AB2C2D6 -46.0 3.58 -10.1 1.06 0
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6580 69024 1 SO4C6N6H20 AB4C6D6E20 -160.92 10.48 -9.14 -0.22 0
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6581 69051 1 NO2C9H11 AB2C9D11 -12.96 5.24 -9.88 -0.78 0
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6582 69055 4 H4C5 A4B5 60.67 1.71 -8.1 -0.74 0
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6583 69063 1 NC12H14 AB12C14 28.62 1.57 0.0 0.0 1
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6584 69068 1 O4C9H10 A4B9C10 -107.65 1.71 -8.81 -1.9 0
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6585 69070 1 N3O4H5C6 A3B4C5D6 4.89 2.15 -10.05 -2.02 0
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6586 69071 1 N3O3C7H7 A3B3C7D7 10.61 2.55 -9.48 -0.86 0
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6587 69076 1 INC12H14 ABC12D14 34.24 4.7 -8.1 -0.88 0
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6588 69080 1 NH17C19 AB17C19 78.59 0.91 -8.18 0.13 0
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6589 69099 3 NC2H3 AB2C3 21.35 1.45 -8.29 0.47 0
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6590 69110 1 OCl2H4C7 AB2C4D7 -29.41 4.77 -10.16 -1.33 0
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6591 69114 1 NO3H5C6 AB3C5D6 -108.25 8.36 -10.18 -1.51 0
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6592 69116 1 NI2O2H5C7 AB2C2D5E7 -31.59 2.93 -9.17 -1.5 0
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6593 69153 2 OC4H5 AB4C5 -69.9 3.66 -9.72 -0.07 0
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6594 69159 1 N3O4H9C12 A3B4C9D12 35.09 5.44 -9.47 -1.89 0
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6595 69160 1 O3N4C6H6 A3B4C6D6 -102.71 1.86 -9.07 -0.91 0
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6596 69162 1 N2O3C9H10 A2B3C9D10 -45.52 2.18 -9.31 -1.42 0
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6597 69178 1 NBr3H6C10 AB3C6D10 57.62 3.78 -9.63 -1.46 0
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6598 69184 2 OC4H4 AB4C4 -63.32 4.02 -9.1 -0.91 0
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6599 69188 1 NO2C8H9 AB2C8D9 -58.77 0.45 -10.53 -0.99 0
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6600 69202 2 O2H4C5 A2B4C5 -91.55 2.16 -9.51 -0.71 0
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6601 69207 1 OSN3C4H5 ABC3D4E5 16.52 5.77 -9.82 -1.06 0
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6602 69209 2 O2C4H7 A2B4C7 -191.46 2.72 -10.55 0.04 0
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6603 69210 2 NOC3H6 ABC3D6 -98.85 0.94 -9.96 -0.06 0
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6604 69211 2 OC4H5 AB4C5 -81.3 0.1 -8.32 0.06 0
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6605 69212 1 O3H6C7 A3B6C7 -80.43 6.44 -9.75 -1.82 0
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6606 69218 2 ClC2H4 AB2C4 -41.77 2.37 -10.62 0.71 0
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6607 69219 1 ClOC4H7 ABC4D7 -60.75 1.4 -10.34 0.27 0
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6608 69224 1 OC15H24 AB15C24 -75.36 1.42 -8.46 0.51 0