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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225110 85741789 1 NCl3O3H8C11 AB3C3D8E11 -96.46 1.84 -10.12 -1.18 0
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225111 85741790 1 N2O9C10H18 A2B9C10D18 -393.8 3.48 -10.07 -0.76 0
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225112 85741791 1 N2O3C19H28 A2B3C19D28 -129.47 5.18 -8.33 -0.44 0
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225113 85741793 1 BrHO2C3Cl4 ABC2D3E4 -95.1 2.71 -11.42 -2.05 0
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225114 85741795 1 HBr2O2C3Cl3 AB2C2D3E3 -85.02 3.06 -11.13 -2.2 0
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225115 85741796 1 HBr2O2C3Cl3 AB2C2D3E3 -80.86 2.61 -10.94 -2.0 0
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225116 85741801 1 NSiO3C21H43 ABC3D21E43 -259.16 2.1 -8.84 1.06 0
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225117 85741804 1 ClON2C14H17 ABC2D14E17 -43.35 5.22 -9.82 -0.21 0
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225118 85741812 1 NO2C10H17 AB2C10D17 -122.98 4.05 -9.59 1.16 0
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225119 85741822 1 BHOC18F22 ABCD18E22 -1151.18 4.12 -11.77 -2.6 0
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225120 85741832 3 O3H4C8 A3B4C8 -169.19 4.34 -8.59 -1.76 0
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225121 85741852 1 SO3H10C16 AB3C10D16 -16.95 6.13 -9.0 -1.39 0
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225122 85741862 1 NO3H29C30 AB3C29D30 -27.27 2.1 -9.25 -0.16 0
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225123 85741863 2 O2C6H9 A2B6C9 -145.45 4.47 -10.14 -0.42 0
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225124 85741869 1 OH2C3N4 AB2C3D4 101.9 1.54 -9.86 -1.12 0
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225125 85741870 1 ClC15H17 AB15C17 34.98 2.71 -8.67 -0.7 0
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225127 85741897 1 NOPC17H18 ABCD17E18 3.49 4.48 -8.92 -0.23 0
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225128 85741898 1 BrFOH12C14 ABCD12E14 -39.68 2.58 -9.38 -0.6 0
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225129 85741899 1 NPC17H20 ABC17D20 42.98 0.18 -8.61 0.22 0
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225130 85741905 1 ClNO2C19H30 ABC2D19E30 -113.68 3.61 -8.24 0.26 0
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225131 85741909 2 C10H13 A10B13 7.04 1.05 -8.38 0.54 0
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225132 85741923 1 PN3O4C8H12 AB3C4D8E12 -143.27 3.7 -9.67 -0.53 0
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225133 85741925 2 C10H13 A10B13 16.4 0.91 -8.7 0.5 0
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225134 85741926 1 CClO4N9 ABC4D9 240.64 4.22 -11.66 -4.76 1
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225135 85741927 1 CN9 AB9 238.08 0.19 0.0 0.0 0
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225136 85741928 1 ON2C14H14 AB2C14D14 72.37 4.91 -9.64 0.03 0
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225137 85741930 1 O2S2C5H10 A2B2C5D10 -89.42 5.68 -9.06 0.08 0
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225138 85741931 1 N2C13H18 A2B13C18 63.99 5.13 -10.27 0.37 0
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225139 85741933 1 INO2C9H12 ABC2D9E12 -61.55 6.12 -8.11 -0.67 0
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225140 85741937 1 NCl2C10H15 AB2C10D15 -26.66 2.27 -8.74 -0.33 0
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225141 85741938 1 NCl2C11H17 AB2C11D17 -35.32 2.69 -8.78 0.04 0
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225142 85741939 1 NCl3C9H12 AB3C9D12 -31.69 4.45 -8.9 -0.2 0
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225143 85741964 1 NOC13H21 ABC13D21 -54.98 4.21 -9.34 0.62 0
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225144 85741972 1 NOC13H21 ABC13D21 -56.5 3.88 -9.31 0.65 0
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225145 85741993 1 ClSO2H9C12 ABC2D9E12 -49.44 5.7 -9.45 -1.06 0
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225146 85741997 1 SO8N15C35H61 AB8C15D35E61 -338.72 8.46 -9.23 -0.25 0
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225147 85742008 1 N8O10C31H50 A8B10C31D50 -493.96 8.64 -9.91 -0.1 0
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225148 85742013 1 N3H21C28 A3B21C28 135.51 2.11 -8.21 -1.03 0
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225149 85742016 1 O3C16H26 A3B16C26 -171.91 4.51 -9.84 0.78 0
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225150 85742018 1 OS2N3C9H13 AB2C3D9E13 35.49 4.99 -9.46 -0.87 0
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225151 85742021 2 OC7H8 AB7C8 -37.54 1.19 -8.86 -0.15 0
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225152 85742024 2 NOH11C15 ABC11D15 79.57 6.96 -8.38 -1.33 0
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225153 85742028 2 ON2H6C13 AB2C6D13 159.74 0.16 -9.49 -1.7 0
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225154 85742029 2 N5O5C15H24 A5B5C15D24 -458.94 13.43 -9.01 -0.1 0
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225155 85747715 1 N3O5H15C17 A3B5C15D17 -53.46 5.72 -9.56 -1.46 0
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225156 85747716 2 NOC7H8 ABC7D8 -45.41 7.51 -8.81 -0.05 0
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225157 85747742 1 PO3C11H21 AB3C11D21 -185.91 3.49 -9.68 0.87 0
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225158 85747746 1 PO3C11H21 AB3C11D21 -190.5 2.92 -9.82 0.52 0
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225159 85747748 1 FN5H12C17 AB5C12D17 98.69 2.86 -9.21 -1.28 0
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225160 85747749 1 BrN5H12C17 AB5C12D17 147.53 2.74 -9.2 -1.27 0
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225161 85747751 1 NO3C14H17 AB3C14D17 -119.68 5.45 -10.01 -0.31 0
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225162 85747758 1 NO4C21H27 AB4C21D27 -117.6 4.47 -9.55 -1.14 0
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225163 85747759 1 NO2C20H25 AB2C20D25 -40.81 1.12 -9.27 -1.06 0
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225164 85747762 1 O2N3C9H13 A2B3C9D13 -64.12 2.19 -7.89 0.15 0
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225165 85747764 1 OSiBr2C13H18 ABC2D13E18 -61.19 2.69 -8.97 -0.86 0
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225166 85747766 1 SiBr2O2C15H22 AB2C2D15E22 -104.14 4.08 -9.04 -0.58 0
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225167 85747778 1 FO3C9H9 AB3C9D9 -154.28 1.83 -10.04 -0.53 0
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225168 85747779 1 ISiO2C10H23 ABC2D10E23 -159.49 1.41 -8.6 -0.9 0
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225169 85747794 1 SiO2C19H24 AB2C19D24 -102.41 1.97 -9.12 0.09 0
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225170 85747795 1 OSiC13H20 ABC13D20 -86.52 1.13 -9.29 0.29 0
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225171 85747802 1 SiO2C20H24 AB2C20D24 -92.79 3.61 -9.08 0.2 0
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225172 85747805 1 SiO2C20H26 AB2C20D26 -111.54 1.75 -9.2 -0.02 0
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225173 85747807 1 NO3C10H15 AB3C10D15 -110.84 5.2 -7.95 0.16 0
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225174 85747813 1 O5C24H36 A5B24C36 -265.63 9.01 -10.18 -0.14 0
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225175 85747814 1 O2Si2C25H40 A2B2C25D40 -179.26 0.78 -9.24 0.15 0
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225176 85747816 1 O6N8C31H48 A6B8C31D48 -276.9 6.88 -8.84 -0.38 0
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225177 85747817 2 OC5H10 AB5C10 -104.29 0.97 -9.76 1.25 0
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225178 85747819 1 ClO5C8H17 AB5C8D17 -262.41 8.7 -10.35 0.12 0
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225179 85747823 1 FO2C9H13 AB2C9D13 -146.47 1.5 -10.55 -0.24 0
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225180 85747825 2 FO2C7H11 AB2C7D11 -307.86 2.15 -10.83 0.2 0
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225181 85747830 1 N2O4C29H44 A2B4C29D44 -184.53 7.05 -8.67 -0.36 0
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225182 85747831 1 O2N3C17H21 A2B3C17D21 -33.27 1.98 -7.95 0.07 0
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225183 85747835 2 NO3C9H11 AB3C9D11 -184.72 4.31 -8.79 -0.1 0
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225184 85747853 1 NO2C12H23 AB2C12D23 -121.61 2.58 -9.47 1.0 0
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225185 85747856 1 NO3C17H21 AB3C17D21 -78.37 5.35 -8.1 0.25 0