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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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151487 53812512 1 NS2O3H11C12 AB2C3D11E12 -61.38 3.23 -9.26 -1.62 0
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151488 53812515 1 O4H16C17 A4B16C17 -122.79 3.54 -9.4 -1.21 0
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151489 53812516 1 ClN2O5C16H17 AB2C5D16E17 -110.61 2.21 -9.88 -1.49 0
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151490 53837722 1 O6C17H28 A6B17C28 -291.97 5.66 -10.17 0.63 0
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151491 53837724 1 ON2C22H30 AB2C22D30 -4.72 2.03 -8.2 0.46 0
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151492 53837725 1 ClFN2O2H4C8 ABC2D2E4F8 -44.2 5.66 -9.51 -1.36 0
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151493 53837726 2 NOH16C20 ABC16D20 100.18 5.25 -8.5 -0.52 0
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151494 53837727 1 O2N3H13C14 A2B3C13D14 48.8 7.84 -8.48 -0.86 0
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151495 53837728 2 ClNO2H4C5 ABC2D4E5 -75.41 3.92 -9.79 -2.02 0
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151496 53837729 1 N2O3C25H30 A2B3C25D30 -59.0 1.8 -7.56 -0.16 0
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151497 53837730 1 ClS2N3O6H14C16 AB2C3D6E14F16 -89.02 6.08 -8.73 -1.22 0
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151498 53837731 1 ClFSO3N4H18C20 ABCD3E4F18G20 -91.53 3.36 -8.05 -1.04 0
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151499 53837732 1 OSN6C16H18 ABC6D16E18 98.9 3.09 -8.63 -0.92 0
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151500 53837733 1 N3O4C12H25 A3B4C12D25 -207.17 7.77 -9.71 0.18 0
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151501 53837734 4 NC2H3 AB2C3 82.97 6.71 -8.96 -0.78 0
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151502 53837735 2 ClNO2C9H9 ABC2D9E9 -136.26 5.3 -8.49 -0.35 0
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151504 53837737 2 NOH5C7 ABC5D7 1.34 3.5 -9.04 -0.9 0
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151505 53837738 1 NOC17H19 ABC17D19 33.52 2.71 -8.77 0.05 0
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151506 53837739 1 NSO4C18H19 ABC4D18E19 -121.36 7.49 -9.73 -0.75 0
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151507 53837740 1 ClNOC20H22 ABCD20E22 -1.3 3.32 -8.71 0.18 0
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151508 53837741 1 N4O5C25H32 A4B5C25D32 -101.93 3.67 -8.33 -0.53 1
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151509 53837742 1 NO3C10H18 AB3C10D18 -121.34 6.57 0.0 0.0 0
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151510 53837743 1 SN2O2C16H20 AB2C2D16E20 -65.19 7.79 -8.82 -0.94 0
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151511 53837744 1 O3H18C20 A3B18C20 -20.21 3.14 -8.53 -0.12 0
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151512 53837745 1 NO6C19H21 AB6C19D21 -249.11 4.33 -9.78 -0.11 0
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151513 53837746 1 PN4O6C10H17 AB4C6D10E17 -316.07 2.51 -9.61 -0.43 1
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151514 53837747 1 ON3C18H24 AB3C18D24 -9.78 5.6 0.0 0.0 0
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151515 53837748 1 N3O7C21H21 A3B7C21D21 -176.13 2.58 -8.36 -1.86 0
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151516 53837749 1 ClNSO4C28H34 ABCD4E28F34 -105.85 5.21 -8.93 -1.09 0
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151517 53837750 1 ClO3N5C10H14 AB3C5D10E14 -114.19 8.25 -9.22 -1.06 0
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151518 53837751 1 OC12H12 AB12C12 5.61 0.68 -8.46 0.26 0
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151519 53837752 1 S2O6C23H28 A2B6C23D28 -219.37 5.87 -9.5 -0.6 0
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151520 53837753 1 F3N3O3C30H32 A3B3C3D30E32 -249.35 6.05 -8.43 -0.86 0
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151521 53837754 1 N2O3H18C20 A2B3C18D20 -20.42 4.41 -8.02 -0.63 0
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151522 53837755 1 O4C23H32 A4B23C32 -164.31 7.66 -8.93 -0.85 0
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151523 53837756 1 NO2C8H11 AB2C8D11 -82.03 2.87 -9.54 -0.73 0
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151525 53837758 1 ClSO4N8C27H33 ABC4D8E27F33 -36.4 5.55 -9.17 -1.14 0
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151526 53837759 1 ClSO4N8C27H33 ABC4D8E27F33 -27.99 5.63 -9.31 -1.18 0
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151527 53837760 1 NO3C12H17 AB3C12D17 -55.49 6.91 -9.83 -0.96 0
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151528 53837761 1 N4O4F5C23H23 A4B4C5D23E23 -326.75 8.41 -9.68 -0.57 0
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151529 53837762 1 OSCl3F3N5H11C15 ABC3D3E5F11G15 -68.69 3.34 -9.66 -1.98 0
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151530 53837763 1 FO2N3H20C22 AB2C3D20E22 -25.31 3.92 -8.73 -0.5 0
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151531 53837764 1 SO2N3C19H21 AB2C3D19E21 -4.25 5.47 -8.96 -0.73 0
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151532 53837765 1 N2O3C11H12 A2B3C11D12 -60.82 2.88 -9.04 -0.72 1
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151533 53837766 1 N2O3C11H13 A2B3C11D13 -49.72 5.27 0.0 0.0 0
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151534 53837767 1 NO3C19H29 AB3C19D29 -122.13 2.77 -9.05 0.1 0
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151535 53837768 2 NC4H4 AB4C4 79.81 6.29 -10.64 -0.85 0
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151536 53837769 2 N2O2C9H11 A2B2C9D11 -32.35 7.24 -8.76 -1.2 0
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151537 53837770 2 N2O2C9H11 A2B2C9D11 -32.53 7.41 -8.74 -1.2 0
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151538 53837771 1 N4C7O10H12 A4B7C10D12 -94.35 1.44 -9.57 -1.72 0
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151539 53837772 1 SN4O4C14H16 AB4C4D14E16 -73.54 1.33 -8.86 -0.78 0
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151540 53837773 1 NO2C22H27 AB2C22D27 -47.08 2.23 -9.12 0.13 0
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151541 53837774 1 PN2O4C13H19 AB2C4D13E19 -220.84 3.13 -9.64 0.11 0
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151542 53837775 1 NO2H9C10 AB2C9D10 -22.57 3.71 -10.13 -1.38 0
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151543 53837776 1 NOF2H17C27 ABC2D17E27 -6.98 9.67 -8.19 -1.18 0
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151544 53837777 1 ClSN3O4C21H26 ABC3D4E21F26 -132.57 6.75 -8.6 -0.55 0
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151545 53837778 1 N2O4H8C11 A2B4C8D11 -93.04 8.97 -10.22 -1.89 0
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151546 53837779 1 NOC9H17 ABC9D17 -49.62 2.33 -8.96 0.41 0
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151547 53837780 1 N2O4C25H30 A2B4C25D30 -89.31 4.94 -8.95 -0.38 0
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151548 53837781 1 N2O11C39H48 A2B11C39D48 -421.34 4.77 -8.98 -1.33 0
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151549 53837782 1 NSO5C13H15 ABC5D13E15 -158.23 1.19 -9.2 -1.14 0
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151550 53837783 1 NSO5C13H15 ABC5D13E15 -158.38 1.01 -9.24 -1.17 0
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151551 53837784 1 NSO5C13H15 ABC5D13E15 -164.09 4.27 -9.11 -1.14 0
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151552 53837785 1 NSO5C13H15 ABC5D13E15 -162.97 5.18 -9.35 -1.31 0
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151553 53837786 1 NSO5C13H15 ABC5D13E15 -161.47 5.73 -9.04 -1.12 0
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151554 53837787 1 O4C9H18 A4B9C18 -202.87 3.88 -10.16 1.28 0
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151555 53837788 2 ClO3C18H21 AB3C18D21 -218.25 5.47 -8.6 -1.08 0
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151556 53837789 1 N4O4C37H44 A4B4C37D44 -122.93 5.43 -8.78 -0.49 0
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151557 53837790 1 NO2C5H13 AB2C5D13 -104.92 1.56 -9.18 1.88 0
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151558 53837791 1 NCl3O5H16C21 AB3C5D16E21 -93.99 5.72 -9.78 -1.38 0
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151559 53837792 1 OC17H22 AB17C22 -38.38 3.4 -9.45 0.18 0
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151560 53837793 1 ON3C21H21 AB3C21D21 21.6 1.78 -8.47 -0.16 0
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151561 53837794 1 N5O6C26H35 A5B6C26D35 -184.67 7.58 -8.52 -0.92 0
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151562 53837795 1 ClC5H7 AB5C7 12.96 2.09 -9.62 -0.23 0
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151563 53837796 1 FN2O6H23C26 AB2C6D23E26 -228.0 4.86 -9.71 -1.34 0
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151564 53837797 1 BrNS2O6C23H30 ABC2D6E23F30 -233.85 3.06 -8.94 -0.84 0
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151565 53837798 1 SN4C20H20 AB4C20D20 194.0 1.86 -8.54 -1.98 0
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151566 53837799 1 NO2H17C19 AB2C17D19 -16.08 2.75 -8.45 -0.89 0
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151567 53837800 1 SO2N3C23H29 AB2C3D23E29 -39.37 1.4 -9.14 -0.18 0
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151568 53837801 1 NOC7H17 ABC7D17 -69.12 3.44 -8.9 2.46 0
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151569 53837802 1 ClO3N5C11H14 AB3C5D11E14 -89.91 3.52 -9.02 -0.74 0
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151570 53837803 1 ClN2O3C14H17 AB2C3D14E17 -99.15 4.31 -9.29 0.14 0
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151571 53837804 1 ClN2O2C20H25 AB2C2D20E25 -75.51 3.43 -9.48 -0.11 0
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151572 53837805 1 O2N4C9H12 A2B4C9D12 -19.72 4.06 -9.44 -0.99 0
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151573 53837806 2 O2C5H8 A2B5C8 -137.41 4.58 -9.83 -0.28 1
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151574 53837808 1 ON4C26H35 AB4C26D35 59.34 4.64 0.0 0.0 0
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151575 53837809 1 ClNOF2H20C21 ABCD2E20F21 -98.11 3.47 -8.17 -0.37 0
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151576 53837810 1 NO4C22H23 AB4C22D23 -100.74 1.89 -8.65 -0.82 0
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151577 53837811 1 O3N4C30H40 A3B4C30D40 -55.15 5.68 -8.6 -0.99 0
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151578 53837812 1 Cl2O3C18H18 A2B3C18D18 -112.49 2.48 -9.07 -0.62 0
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151579 53837813 14 CH2 AB2 -47.24 0.05 -9.44 1.5 0
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151580 53837814 1 SN2O2C14H22 AB2C2D14E22 -72.9 3.06 -8.86 -0.36 0
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151581 53837815 1 N2O3H12C15 A2B3C12D15 4.94 5.26 -8.96 -0.57 0
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151582 53837816 2 NOC5H7 ABC5D7 -50.11 2.06 -8.68 0.11 0
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151583 53837819 1 OSN2C3H4 ABC2D3E4 63.16 2.58 -9.23 -0.68 0
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151584 53837820 4 NC6H9 AB6C9 125.23 3.6 -8.54 0.46 0
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151585 55161541 1 NO3C15H25 AB3C15D25 -186.02 9.26 -9.88 0.74 0
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151586 55161547 2 FNC7H10 ABC7D10 -78.78 3.14 -8.02 0.02 0
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151587 55161548 1 N2C17H28 A2B17C28 -12.78 2.23 -7.77 0.72 0
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151588 55161552 1 N2C15H30 A2B15C30 -41.01 1.42 -8.16 3.04 0