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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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220704 85230558 1 NO2C12H17 AB2C12D17 -84.54 1.87 -9.55 -0.68 0
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220705 85230559 1 FNC13H18 ABC13D18 -49.23 2.31 -9.06 0.21 0
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220706 85230600 1 SO2C11H14 AB2C11D14 -70.16 4.27 -8.6 0.2 0
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220707 85230613 1 NO2C12H21 AB2C12D21 -88.23 4.8 -9.3 0.78 0
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220708 85230622 4 NC3H4 AB3C4 62.87 1.3 -8.52 0.24 0
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220710 85230627 1 NO2C12H21 AB2C12D21 -121.16 3.01 -9.5 0.95 0
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220711 85230650 2 OC7H7 AB7C7 -29.51 5.39 -9.2 -0.31 0
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220712 85230651 1 O3C12H22 A3B12C22 -152.02 3.46 -9.84 0.94 0
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220713 85230652 1 O3C12H22 A3B12C22 -176.66 3.03 -10.6 0.61 0
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220714 85230663 1 NOC14H17 ABC14D17 -6.32 2.54 -8.89 0.32 0
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220715 85230671 1 O3H12C13 A3B12C13 -82.38 2.98 -9.39 -0.14 0
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220716 85230689 1 O3C13H14 A3B13C14 -74.34 5.19 -10.13 -0.63 0
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220717 85230702 1 ClOC12H23 ABC12D23 -106.57 1.86 -9.83 0.78 0
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220718 85230706 1 NO3C12H13 AB3C12D13 -109.68 1.21 -9.5 -0.45 0
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220719 85230711 1 NOSC12H13 ABCD12E13 115.31 1.23 -8.85 -0.07 0
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220720 85230714 4 OC3H3 AB3C3 -141.4 5.83 -9.79 -1.07 0
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220722 85230718 1 O3C13H16 A3B13C16 -86.64 7.53 -8.94 -0.3 0
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220723 85230721 2 N3C5H8 A3B5C8 137.25 7.28 -9.49 -1.79 0
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220724 85230726 2 OC7H10 AB7C10 -85.97 2.19 -8.53 0.73 0
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220725 85230747 1 O3C13H18 A3B13C18 -103.17 6.62 -9.61 -0.29 0
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220726 85230753 2 OC7H11 AB7C11 -80.28 4.48 -9.78 0.18 0
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220727 85230762 1 NO3C12H17 AB3C12D17 -99.91 4.28 -8.68 -0.23 0
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220728 85230774 4 OC3H4 AB3C4 -81.63 2.61 -10.1 0.11 0
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220729 85230785 2 OC7H12 AB7C12 -66.62 1.44 -9.72 2.58 0
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220730 85230790 1 ClN2O3H5C9 AB2C3D5E9 -33.17 6.19 -10.25 -2.61 0
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220733 85230800 2 NO2C5H7 AB2C5D7 -123.4 5.55 -10.02 -0.58 1
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220734 85230801 1 N2O4C10H15 A2B4C10D15 -121.51 6.83 0.0 0.0 0
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220735 85230824 1 NO4C11H17 AB4C11D17 -111.2 3.32 -9.78 0.37 0
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220736 85230826 1 NSO2C11H17 ABC2D11E17 -84.59 3.14 -9.48 -0.52 0
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220737 85230827 1 NO2C13H25 AB2C13D25 -117.82 2.64 -9.15 0.9 0
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220738 85230828 2 FO2H3C5 AB2C3D5 -207.86 5.69 -10.4 -1.45 0
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220739 85230829 1 O2F4C9H12 A2B4C9D12 -298.58 3.41 -10.14 0.01 0
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220740 85230830 2 O3C5H6 A3B5C6 -242.72 5.11 -10.28 -1.01 0
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220741 85230831 1 N2O5C9H12 A2B5C9D12 -180.37 4.9 -9.68 -1.07 0
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220742 85230832 2 NO2C5H8 AB2C5D8 -179.45 3.57 -8.97 -0.22 0
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220743 85230834 1 LiON2C13H21 ABC2D13E21 89.65 14.2 -5.87 -0.01 0
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220744 85230835 1 SN2O3C9H12 AB2C3D9E12 -72.73 5.07 -8.56 -0.93 0
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220745 85230836 4 OC3H5 AB3C5 -206.89 3.6 -9.95 0.7 0
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220746 85230838 1 O2C15H20 A2B15C20 -77.61 5.49 -9.24 -0.53 0
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220747 85230839 1 O2C15H16 A2B15C16 -49.76 6.74 -9.36 -0.06 0
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220748 85230840 1 ON2C14H20 AB2C14D20 -14.84 4.2 -8.74 0.32 0
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220749 85230841 1 OSN4C9H16 ABC4D9E16 -9.01 2.29 -9.84 -1.14 0
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220750 85230845 1 C17H24 A17B24 -11.58 0.6 -8.66 1.29 0
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220751 85230863 1 OC16H22 AB16C22 -41.77 3.52 -9.19 0.5 0
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220752 85238697 1 SH8C10 AB8C10 107.43 0.7 -9.12 -0.5 0
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220753 85238699 1 NO4C6H11 AB4C6D11 -139.43 1.97 -10.05 -0.08 0
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220754 85238732 2 OC5H9 AB5C9 -104.99 2.05 -9.83 0.71 0
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220755 85238749 1 O2H10C11 A2B10C11 -1.54 1.27 -9.95 -0.75 0
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220756 85238796 1 SO2C9H12 AB2C9D12 -40.24 1.07 -9.1 -0.51 0
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220757 85238845 2 OC6H7 AB6C7 -27.12 2.21 -9.38 -0.25 0