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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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176652 76079396 4 C5H7 A5B7 134.99 1.96 -7.63 -0.54 0
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176653 76079397 1 ClO2N5C17H24 AB2C5D17E24 -27.87 4.52 -8.96 -0.21 0
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176654 76079513 1 FSiN2O5C24H47 ABC2D5E24F47 -410.75 3.7 -8.84 0.67 1
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176655 76079674 3 NOC2H2 ABC2D2 -24.87 8.43 0.0 0.0 0
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176656 76079983 1 ClNO4C15H30 ABC4D15E30 -231.58 4.08 -9.13 0.84 0
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176657 76080066 1 N3O5C24H37 A3B5C24D37 -242.1 2.31 -8.14 -0.2 0
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176658 76080077 2 O5C13H18 A5B13C18 -453.42 11.95 -9.67 -0.71 0
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176659 76080310 1 Cl2N6O6C29H32 A2B6C6D29E32 -230.56 5.1 -8.53 -0.74 0
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176660 76080311 1 OSN5C18H21 ABC5D18E21 47.74 5.03 -8.94 -0.88 0
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176661 76080312 1 ClN5O5C16H20 AB5C5D16E20 -171.12 4.01 -10.09 -1.41 0
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176662 76080332 1 N3O4C26H33 A3B4C26D33 -153.41 4.38 -8.32 -0.04 0
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176663 76080333 1 N2O6C13H16 A2B6C13D16 -199.59 3.08 -9.58 -0.66 0
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176664 76080334 1 NSO3C13H19 ABC3D13E19 -121.35 5.23 -9.34 -0.47 0
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176665 76080335 1 SN6O14C56H102 AB6C14D56E102 -771.53 15.95 -9.37 -1.08 0
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176666 76080336 1 N5O5C18H29 A5B5C18D29 -169.87 9.78 -9.86 -1.18 0
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176667 76080499 1 N2O2C11H20 A2B2C11D20 -98.05 4.0 -9.46 0.15 0
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176668 76080594 1 ON4C14H22 AB4C14D22 -23.33 3.58 -9.2 0.44 0
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176669 76080595 1 SN3O3C24H35 AB3C3D24E35 -109.76 2.9 -8.61 0.04 1
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176670 76080596 1 O2N3S3C12H16 A2B3C3D12E16 -16.5 3.29 0.0 0.0 1
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176671 76080625 1 S2O5N7C21H22 A2B5C7D21E22 -22.39 12.89 0.0 0.0 0
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176672 76081608 1 B2P4C11O19H24 A2B4C11D19E24 -983.02 5.33 -8.88 -0.91 0
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176673 76081748 1 N3O4C19H23 A3B4C19D23 -147.17 5.11 -8.96 -0.47 1
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176674 76081749 1 S2N6O6H19C21 A2B6C6D19E21 -44.03 10.42 0.0 0.0 0
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176675 76081750 4 NOC7H8 ABC7D8 -106.42 2.37 -8.29 -0.44 0
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176676 76081751 2 SO3C11H15 AB3C11D15 -249.42 2.28 -8.75 -0.48 0
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176677 76081869 1 SN2O3C13H14 AB2C3D13E14 -106.06 9.08 -8.65 -0.58 0
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176678 76082137 1 ClS2N4O6H25C29 AB2C4D6E25F29 -118.01 3.16 -8.76 -1.06 0
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176679 76082146 1 S2N4O5C20H22 A2B4C5D20E22 -159.64 11.51 -9.25 -1.13 0
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176680 76082147 1 ON5C13H13 AB5C13D13 57.45 4.71 -9.95 -0.76 0
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176681 76082148 1 C27H44 A27B44 -35.64 0.28 -9.82 2.04 1
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176682 76082249 1 S3O5N6C22H23 A3B5C6D22E23 -26.66 6.31 0.0 0.0 0
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176683 76082620 1 SN13O15C52H79 AB13C15D52E79 -682.29 14.51 -9.42 -0.56 0
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176684 76082621 1 N2O9C32H44 A2B9C32D44 -388.85 3.83 -9.53 0.07 0
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176685 76082804 1 SO10C12H22 AB10C12D22 -447.89 1.54 -9.72 -0.39 0
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176686 76082805 1 BrNO3C20H22 ABC3D20E22 -80.42 3.92 -8.96 -0.34 0
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176687 76082806 1 OC21H32 AB21C32 -61.1 1.73 -8.41 0.39 0
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176688 76082807 1 N2O5C18H20 A2B5C18D20 -160.38 2.1 -9.81 -0.29 0
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176689 76083040 1 N4O4C27H28 A4B4C27D28 -44.59 7.82 -9.42 -1.93 0
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176690 76083056 1 SO2N3C13H19 AB2C3D13E19 -75.69 2.74 -9.19 0.2 0
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176691 76083057 1 OC28H48 AB28C48 -126.63 2.26 -9.02 1.57 1
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176692 76083058 1 ON4C20H23 AB4C20D23 104.78 4.75 0.0 0.0 0
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176693 76083059 1 NO5C12H23 AB5C12D23 -267.12 4.44 -9.99 0.09 0
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176694 76083888 1 NO13C40H71 AB13C40D71 -624.7 5.69 -8.95 0.17 0
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176695 76083956 1 NO4C13H21 AB4C13D21 -152.64 4.72 -10.2 -0.32 0
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176696 76083957 1 S4O6N9C18H21 A4B6C9D18E21 -45.3 8.65 -9.28 -1.49 0
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176697 76083964 2 N2O2C7H12 A2B2C7D12 -210.21 1.94 -9.65 0.31 0
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176698 76083965 1 NSO3C15H21 ABC3D15E21 -123.06 3.92 -8.65 0.19 0
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176699 76083966 1 SO3C18H34 AB3C18D34 -189.58 5.86 -8.96 0.54 0
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176700 76083967 1 S2N4O7C21H26 A2B4C7D21E26 -198.98 3.25 -8.83 -0.99 0
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176701 76083968 1 BN2O13C35H57 AB2C13D35E57 -655.51 12.39 -8.94 -0.05 0