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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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176777 76097236 1 SN4O6C35H40 AB4C6D35E40 -183.54 7.71 -8.96 -0.49 0
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176778 76097391 1 N6O13C22H28 A6B13C22D28 -494.44 10.27 -9.58 -1.05 0
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176779 76097706 1 ClO2C21H39 AB2C21D39 -178.25 1.82 -9.59 0.97 0
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176780 76098598 2 OC14H22 AB14C22 -126.16 2.18 -8.52 0.25 1
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176781 76098659 1 N3O7C37H48 A3B7C37D48 -193.96 6.59 0.0 0.0 0
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176782 76098660 1 ClPN2O5C9H20 ABC2D5E9F20 -231.31 10.28 -9.45 -0.41 0
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176783 76098661 1 NSO3C7H7 ABC3D7E7 -83.17 6.72 -9.41 -1.1 1
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176784 76098940 1 O3N6C25H43 A3B6C25D43 -138.34 4.67 0.0 0.0 0
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176785 76099452 2 ON2C16H19 AB2C16D19 -16.44 4.76 -8.79 -0.55 0
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176786 76099453 1 N2O3C20H38 A2B3C20D38 -211.71 2.12 -10.09 0.0 0
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176787 76099666 1 O2C25H28 A2B25C28 -67.8 5.47 -9.37 -0.59 0
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176788 76099691 2 NO3C7H7 AB3C7D7 -220.09 5.13 -9.13 -0.63 0
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176789 76100418 1 IN3O9C24H28 AB3C9D24E28 -327.48 4.63 -9.28 -1.55 0
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176790 76100475 1 SN2O8H32C35 AB2C8D32E35 -213.66 5.92 -8.93 -0.94 1
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176791 76100721 1 O2N8C28H33 A2B8C28D33 52.83 4.01 0.0 0.0 0
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176792 76100995 1 NSC6O6H11 ABC6D6E11 -206.53 1.45 -9.55 -1.42 0
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176793 76101086 2 NO3C7H11 AB3C7D11 -263.07 2.32 -8.32 0.05 0
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176794 76101087 1 S3O6N9C19H19 A3B6C9D19E19 3.42 7.27 -9.09 -1.45 0
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176795 76101088 2 ON3C10H11 AB3C10D11 -14.25 4.21 -8.27 -0.25 0
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176796 76101152 1 N2O5C18H18 A2B5C18D18 -150.81 2.51 -9.52 -0.62 0
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176797 76101159 1 ClN3O4H22C26 AB3C4D22E26 -102.71 6.75 -9.42 -1.18 0
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176798 76101379 1 SO3N5C23H31 AB3C5D23E31 -100.42 5.22 -8.89 -0.37 0
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176799 76101380 1 SF3O3C17H23 AB3C3D17E23 -308.86 4.19 -8.71 -0.48 0
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176800 76101381 2 SO3C11H14 AB3C11D14 -238.84 2.79 -9.22 -0.47 1
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176801 76101538 1 SO5N8C34H57 AB5C8D34E57 -247.17 11.68 0.0 0.0 0