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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
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9220 87214 1 NOH21C29 ABC21D29 114.46 13.02 -7.44 -1.66 0
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9221 87215 1 NOH22C29 ABC22D29 94.49 1.44 0.0 0.0 1
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9222 87216 1 O4N5C15H23 A4B5C15D23 -133.79 3.74 -8.93 -0.54 0
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9223 87217 2 S2C3O3H7 A2B3C3D7 -287.18 1.49 -8.8 -0.96 0
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9224 87220 1 O2C21H42 A2B21C42 -185.05 1.76 -10.47 0.91 0
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9225 87221 2 OC22H44 AB22C44 -290.83 2.16 -10.51 0.87 0
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9226 87230 1 ScH3O3 AB3C3 -234.65 1.47 -10.45 -0.11 0
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9227 87252 1 N3O3C10H13 A3B3C10D13 -89.5 1.34 -9.12 -0.46 0
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9228 87270 2 NC6H8 AB6C8 24.84 2.64 -8.05 0.27 0
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9229 87280 1 SiO2C10H24 AB2C10D24 -216.38 2.05 -9.19 1.57 0
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9230 87294 1 ON4C20H20 AB4C20D20 56.5 7.87 -8.3 -0.94 0
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9231 87302 1 NOSC5H9 ABCD5E9 -23.79 3.34 -8.91 0.41 0
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9232 87315 1 N5O7H19C25 A5B7C19D25 1.88 4.09 -8.43 -2.7 0
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9233 87316 1 FN2O2H5C6 AB2C2D5E6 -31.84 4.09 -9.33 -1.36 0
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9234 87323 2 NCl2C3 AB2C3 51.68 3.79 -10.27 -2.07 0
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9235 87328 6 OC3H3 AB3C3 -177.88 3.11 -10.58 -1.27 0
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9236 87354 1 SiO2C10H14 AB2C10D14 -124.66 2.48 -9.39 0.13 0
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9237 87355 1 NS3H9O9C10 AB3C9D9E10 -325.65 5.82 -9.44 -2.17 0
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9238 87361 1 SiO6C10H20 AB6C10D20 -395.71 1.03 -10.77 -0.18 0
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9239 87370 1 OC7H16 AB7C16 -73.71 1.58 -9.66 2.39 0
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9240 87371 1 ON2H10C11 AB2C10D11 -3.71 3.5 -8.65 -0.49 0
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9241 87372 2 NOC6H6 ABC6D6 -42.54 3.23 -8.27 -0.59 0
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9242 87376 1 SiO4C11H22 AB4C11D22 -234.31 1.82 -9.99 0.54 0
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9243 87377 1 OSi2N4C11H20 AB2C4D11E20 -78.93 3.68 -9.19 -0.44 0
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9244 87406 1 Cl2O4H6C15 A2B4C6D15 -103.56 4.38 -10.0 -2.24 0
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9245 87441 4 OC3H4 AB3C4 -151.68 1.64 -8.36 0.12 0
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9246 87443 2 NC5H10 AB5C10 -2.66 2.55 -9.24 1.14 0
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9247 87444 1 NO2H15C16 AB2C15D16 -32.8 6.2 -8.18 -0.54 0
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9248 87457 2 SiO2C6H13 AB2C6D13 -316.08 1.83 -10.07 0.56 0
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9249 87460 1 Cl2O2H6C7 A2B2C6D7 -74.31 1.08 -8.7 -0.69 0
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9250 87461 1 ClNSO6H12C20 ABCD6E12F20 -144.97 6.92 -8.9 -2.04 0
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9251 87478 1 ClNSiC6H12 ABCD6E12 -55.22 1.84 -10.15 0.32 0
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9252 87483 1 SiCl2O2C5H10 AB2C2D5E10 -193.76 2.08 -10.4 -0.2 0
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9253 87495 1 SiO2C6H16 AB2C6D16 -150.86 1.77 -9.73 1.33 0
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9254 87503 1 NO2C24H47 AB2C24D47 -173.24 3.74 -9.48 1.02 0
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9255 87504 1 NPO8C36H72 ABC8D36E72 -532.88 12.25 -9.98 -0.25 0
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9256 87515 2 NO2C5H7 AB2C5D7 -78.85 5.62 -9.1 -1.05 0
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9257 87517 1 ClNPO5H13C17 ABCD5E13F17 -222.19 4.68 -8.91 -1.25 0
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9258 87527 1 N2S2O6H26C27 A2B2C6D26E27 -95.61 25.94 -8.84 -2.42 0
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9259 87536 1 NO2C5H11 AB2C5D11 -106.91 5.5 -9.94 0.88 0
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9260 87547 1 PbC10H22 AB10C22 -7.34 1.5 -8.18 -1.71 0
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9261 87563 1 PC18H31 AB18C31 -41.24 1.48 -8.28 0.42 0
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9262 87565 1 O2C25H48 A2B25C48 -150.23 2.29 -10.37 -0.16 0
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9263 87566 1 O2P2S5C8H20 A2B2C5D8E20 -226.8 1.27 -8.98 -0.6 0
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9264 87573 1 SSi2O4C6H18 AB2C4D6E18 -300.45 3.9 -10.09 -0.42 0
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9265 87578 1 C7O8H14 A7B8C14 -366.35 2.45 -10.62 0.02 0
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9266 87597 1 O2C9H16 A2B9C16 -110.93 0.71 -10.11 0.21 0
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9267 87612 1 NO6C20H41 AB6C20D41 -346.95 2.66 -10.25 0.49 0
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9268 87616 1 NO2C8H15 AB2C8D15 -85.56 4.33 -10.4 1.25 0
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9269 87618 1 SiCl3C7H13 AB3C7D13 -148.58 2.09 -10.41 -0.58 0