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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