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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394696 135023552 1 NSSiO3C17H27 ABCD3E17F27 -152.14 7.19 -9.07 -0.47 0
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394697 135023555 1 SiO5C19H40 AB5C19D40 -327.7 2.8 -9.05 0.94 0
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394698 135023559 1 N3O4H13C14 A3B4C13D14 32.04 2.51 -10.27 -1.76 0
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394699 135023561 1 O9C19H30 A9B19C30 -429.28 3.0 -9.78 -0.23 0
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394700 135023567 1 N2O2C19H20 A2B2C19D20 21.03 3.1 -8.71 -0.65 0
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394701 135023569 1 CuON2C21H29 ABC2D21E29 56.37 5.67 -8.29 -0.02 0
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394702 135023572 1 ClON2H11C13 ABC2D11E13 49.23 4.52 -8.76 -1.25 0
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394703 135023576 2 OH13C30 AB13C30 424.3 5.37 -8.18 -1.86 0
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394704 135023577 1 NOC17H19 ABC17D19 -13.35 2.37 -8.17 -0.01 0
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394705 135023579 1 NOH15C19 ABC15D19 33.22 1.81 -8.53 -0.58 0
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394706 135023582 1 NOH17C19 ABC17D19 16.79 2.94 -8.34 -0.63 0
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394707 135023587 2 BrC11H12 AB11C12 -1.9 0.99 -9.05 -0.5 0
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394708 135023589 1 NOH23C29 ABC23D29 72.74 2.64 -8.51 -0.68 0
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394709 135023595 1 N2O3C20H20 A2B3C20D20 -76.42 8.8 -8.8 -0.86 0
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394710 135023598 1 SiO2C17H28 AB2C17D28 -103.78 0.83 -8.84 -0.58 0
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394711 135023599 2 O3H11C13 A3B11C13 -91.04 2.14 -8.36 -0.92 0
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394712 135023601 1 SN2H12C20 AB2C12D20 128.92 3.85 -9.1 -1.19 0
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394713 135023602 1 NO5C28H51 AB5C28D51 -304.9 3.54 -10.0 0.31 0
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394714 135023604 1 SiN2O2C23H32 AB2C2D23E32 -84.42 3.46 -8.78 -0.68 0
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394715 135023605 1 GeC13H20 AB13C20 12.35 0.93 -8.8 0.13 0
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394716 135023606 1 SO2N5C13H17 AB2C5D13E17 -4.53 6.49 -9.3 -0.49 1
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394717 135023611 1 N4F5O5H24C27 A4B5C5D24E27 -328.19 4.91 0.0 0.0 0
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394718 135023623 1 BrNO2H18C23 ABC2D18E23 18.16 3.85 -8.72 -0.82 0
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394719 135023629 1 SiO2C19H30 AB2C19D30 -80.55 6.75 -9.03 0.01 0
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394720 135023634 2 NH9C11 AB9C11 126.86 1.93 -8.72 -0.24 0
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394721 135023635 1 NH21C23 AB21C23 89.47 1.73 -8.23 -0.05 0
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394722 135023636 1 ClNOH12C17 ABCD12E17 23.54 3.0 -8.51 -1.08 0
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394723 135023641 1 SiO2C22H36 AB2C22D36 -166.55 3.45 -8.85 0.02 0
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394724 135023642 1 SiO7C26H48 AB7C26D48 -440.83 6.6 -8.77 0.48 0
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394725 135023643 1 O7C27H40 A7B27C40 -349.12 4.37 -9.69 -0.01 0
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394726 135023644 1 O13C40H66 A13B40C66 -706.95 5.1 -9.56 0.61 0
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394727 135023648 1 SiO5C22H40 AB5C22D40 -280.95 1.7 -8.86 -0.15 0
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394728 135023654 1 N3O4C22H23 A3B4C22D23 -110.2 4.87 -8.59 -0.54 0
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394729 135023656 1 Si7O11C33H78 A7B11C33D78 -894.37 1.49 -9.6 0.83 0
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394730 135023657 1 IOC18H19 ABC18D19 31.15 3.31 -9.51 -1.07 0
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394731 135023658 1 SN2O5H30C31 AB2C5D30E31 -106.38 3.36 -8.46 -0.14 0
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394732 135023659 1 NO3H15C17 AB3C15D17 -57.49 3.2 -9.64 -0.69 0
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394733 135023660 1 N3O4H17C21 A3B4C17D21 81.07 7.55 -9.47 -1.94 0
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394734 135023661 2 NH9C11 AB9C11 117.16 7.46 -8.61 -0.39 0
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394735 135023662 1 NF6H17C23 AB6C17D23 -236.44 5.66 -9.14 -0.98 0
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394736 135023663 1 N2F3H17C23 A2B3C17D23 -41.94 9.34 -8.94 -0.85 0
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394737 135023664 1 NF4H17C22 AB4C17D22 -119.15 6.03 -8.78 -0.7 0
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394738 135023665 1 NOH23C27 ABC23D27 84.88 2.31 -8.98 -0.17 0
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394739 135023666 1 NOH23C27 ABC23D27 80.61 3.41 -8.4 -0.28 0
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394740 135023667 1 NO4H23C24 AB4C23D24 -57.37 2.15 -9.31 -0.71 0
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394741 135023668 1 BrNO2C16H16 ABC2D16E16 -8.28 3.19 -9.43 -0.7 0
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394742 135023669 1 SiN2O2C20H24 AB2C2D20E24 -22.83 4.44 -9.22 -0.03 0
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394744 135023672 1 NO5C23H25 AB5C23D25 -160.93 7.3 -9.84 -0.77 0
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394745 135023673 1 NO3C21H25 AB3C21D25 -99.8 3.38 -9.57 -0.01 0
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394746 135023674 1 NO3C21H25 AB3C21D25 -97.43 1.63 -9.64 -0.56 0