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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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9168 86933 2 O5C6H11 A5B6C11 -444.66 5.73 -10.41 -0.84 0
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9169 86935 1 ON2C39H76 AB2C39D76 -168.99 4.98 -9.15 1.32 0
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9170 86936 1 NSiCl3C7H8 ABC3D7E8 -96.42 1.23 -9.82 -0.68 0
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9171 86937 1 NSiCl3C7H8 ABC3D7E8 -96.67 1.32 -10.16 -0.84 0
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9172 86938 1 FeN2O7C10H15 AB2C7D10E15 -308.37 9.64 0.0 0.0 0
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9174 86943 1 NSO7C9H17 ABC7D9E17 -316.22 3.13 -9.59 -0.53 0
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9175 86944 2 NOC5H5 ABC5D5 -44.26 5.12 -9.2 -0.75 0
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9176 86947 1 BrMgNOC6H10 ABCDE6F10 -118.81 5.98 -9.72 -0.08 0
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9177 86958 1 S2N4O4H20C21 A2B4C4D20E21 -26.94 2.61 -8.56 -1.82 0
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9178 86959 1 S2N4O4C21H21 A2B4C4D21E21 -53.88 8.58 0.0 0.0 1
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9179 86962 1 O5C7H10 A5B7C10 -214.33 5.4 -10.64 -1.26 0
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9180 86970 1 ClSiC10H15 ABC10D15 -55.67 2.16 -9.19 0.43 0
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9181 87002 1 NCl2O4H9C10 AB2C4D9E10 -158.15 5.35 -9.64 -1.01 0
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9182 87028 1 BrNO2C9H12 ABC2D9E12 -76.64 3.87 -8.37 -0.45 0
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9184 87031 1 NSO3H9C10 ABC3D9E10 -76.42 5.25 -9.09 -1.2 0
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9185 87053 1 NO6C26H53 AB6C26D53 -361.03 5.64 -8.95 0.57 0
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9186 87060 1 ClN2H4C6 AB2C4D6 71.51 1.72 0.0 0.0 1
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9187 87071 1 N2O4C15H22 A2B4C15D22 -177.14 7.7 -9.31 -0.33 0
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9188 87073 1 IC9H11 AB9C11 20.47 2.4 -9.19 -0.71 0
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9189 87091 2 N2C9H9 A2B9C9 114.12 6.35 -8.28 -0.88 0
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9190 87092 1 N2C13H16 A2B13C16 34.99 1.11 -7.71 0.14 0
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9191 87093 1 SiO6C24H28 AB6C24D28 -254.76 1.91 -9.1 -0.28 0
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9192 87098 1 ZnCl3N3C9H12 AB3C3D9E12 -21.8 19.51 -9.41 -2.74 0
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9193 87112 1 O3H6C10 A3B6C10 -53.73 6.49 -9.93 -1.16 0
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9194 87116 1 NO4C11H15 AB4C11D15 -173.25 2.43 -8.66 -0.5 0
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9195 87133 1 FNO3C11H12 ABC3D11E12 -168.23 4.91 -9.96 -0.48 0
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9196 87134 1 ClSC3H7 ABC3D7 -23.01 1.55 -9.12 0.36 0
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9197 87135 2 NOC4H5 ABC4D5 -59.22 4.08 -8.52 -0.21 0
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9198 87137 1 NO3C8H9 AB3C8D9 -30.45 3.96 -9.32 -1.31 0
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9199 87138 1 ClNO2C14H20 ABC2D14E20 -98.22 5.25 -9.2 0.08 0
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9200 87140 1 N3H5O5C6 A3B5C5D6 6.86 6.76 -10.64 -1.88 0
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9201 87142 1 NOC23H49 ABC23D49 -135.8 2.48 -8.42 2.23 0
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9202 87147 1 NSO3C6H15 ABC3D6E15 -146.67 3.85 -9.48 0.03 0
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9203 87148 2 NSH4O4C5 ABC4D4E5 -207.68 8.54 -9.64 -2.31 0
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9204 87150 1 O2F5C7H7 A2B5C7D7 -337.78 3.9 -11.35 -0.69 0
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9205 87151 1 NO2H11C12 AB2C11D12 -47.7 0.62 -9.2 -0.9 0
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9206 87152 2 NOSC4H4 ABCD4E4 -37.47 6.88 -9.31 -1.08 0
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9207 87155 1 O3C10H10 A3B10C10 -87.47 4.27 -9.26 -1.05 0
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9208 87160 1 PCl2S2O3C9H11 AB2C2D3E9F11 -176.17 3.25 -9.16 -1.01 0
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9209 87162 1 SnC10H24 AB10C24 -30.66 0.14 -9.41 1.12 0
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9210 87168 2 O7C13H27 A7B13C27 -624.71 2.21 -9.72 1.13 0
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9211 87185 1 NOC10H15 ABC10D15 -31.78 2.87 -7.76 0.28 0
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9212 87191 1 NO2C16H27 AB2C16D27 -106.4 1.03 -10.42 -1.5 0
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9213 87193 1 NSO2H5C6 ABC2D5E6 -46.36 5.75 -9.54 -1.42 0
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9214 87198 1 NSC6H9 ABC6D9 17.84 1.46 -9.43 -0.4 0
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9215 87200 1 O2C11H20 A2B11C20 -122.13 2.19 -10.23 0.09 0
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9216 87201 1 NO3C12H17 AB3C12D17 -106.59 4.06 -8.62 0.26 0
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9217 87211 2 O2H5C7 A2B5C7 -123.04 3.3 -8.8 -1.38 0
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9218 87212 1 ClNPO6C8H9 ABCD6E8F9 -219.7 7.16 -9.97 -1.52 0
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9219 87213 1 ClN2H3C8 AB2C3D8 81.95 5.05 -10.44 -1.7 0