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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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3137 9209 2 NH3C4 AB3C4 61.93 3.95 -9.74 -1.08 0
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3138 9210 2 NH3C4 AB3C4 61.84 3.14 -9.74 -1.09 0
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3139 9212 1 NH11C14 AB11C14 66.96 0.91 -8.14 -0.37 0
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3140 9214 4 H2C3 A2B3 98.35 0.02 -8.59 -0.49 0
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3141 9215 1 NH9C13 AB9C13 70.91 2.22 -8.84 -1.21 0
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3142 9217 1 OSH8C12 ABC8D12 18.81 0.28 -8.11 -0.41 0
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3143 9218 1 NO2H7C9 AB2C7D9 8.53 3.77 -9.26 -1.4 0
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3144 9219 1 N2H6C7 A2B6C7 51.75 3.64 -8.9 -0.33 0
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3145 9220 1 N2H6C7 A2B6C7 50.45 4.25 -8.93 -0.33 0
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3146 9223 1 OH6C8 AB6C8 8.09 0.72 -9.15 -0.29 0
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3147 9226 1 N2H6C7 A2B6C7 53.09 4.24 -9.03 -0.29 0
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3148 9227 1 N3H5C6 A3B5C6 62.75 3.75 -9.51 -0.67 0
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3149 9228 1 NOH5C7 ABC5D7 16.51 1.63 -9.67 -0.66 0
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3150 9229 1 O2H6C7 A2B6C7 -40.59 0.03 -8.81 -0.05 0
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3151 9230 1 NH7C8 AB7C8 48.29 1.78 -8.28 -0.26 0
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3152 9231 2 H4C5 A4B5 76.21 1.41 -8.34 -0.83 0
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3153 9232 2 OC3H4 AB3C4 -25.85 1.0 -10.22 1.32 0
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3154 9234 1 OC6H10 AB6C10 -46.04 2.25 -9.9 2.55 0
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3155 9235 2 C4H7 A4B7 -25.48 0.0 -10.34 4.12 0
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3156 9246 1 OC6H10 AB6C10 7.86 3.41 -9.94 1.81 0
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3157 9247 1 SC6H10 AB6C10 33.34 3.16 -8.79 -0.06 0
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3158 9248 1 OC12H22 AB12C22 -55.1 2.75 -9.97 2.26 0
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3159 9249 1 C7H10 A7B10 49.48 0.2 -9.89 2.07 0
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3160 9252 2 SeSiH2 ABC2 -13.1 0.01 -9.39 -1.94 0
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3161 9253 5 CH2 AB2 -20.14 0.01 -11.0 3.97 0
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3162 9254 1 NOC3H3 ABC3D3 23.33 2.74 -10.62 -0.1 0
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3163 9255 1 NOC3H3 ABC3D3 -1.65 1.8 -10.25 -0.07 0
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3164 9256 1 NSC3H3 ABC3D3 39.95 1.73 -9.67 -0.62 0
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3165 9257 1 C2H3N3 A2B3C3 52.62 3.08 -10.61 0.01 0
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3166 9259 2 NC2H2 AB2C2 55.18 4.32 -10.13 -0.67 0
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3167 9261 2 NC2H2 AB2C2 47.55 0.0 -10.04 -0.73 0
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3168 9263 2 CHN2 ABC2 98.1 0.01 -10.42 -1.88 0
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3169 9264 3 CSH2 ABC2 22.08 2.32 -8.75 0.06 0
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3170 9265 7 CH2 AB2 -28.47 0.0 -10.78 4.28 0
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3171 9266 8 CH2 AB2 -31.17 0.02 -10.37 4.36 0
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3172 9268 12 CH2 AB2 -40.24 0.0 -10.58 4.09 0
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3173 9270 4 OC6H8 AB6C8 -161.39 3.56 -9.54 0.77 0
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3174 9274 1 PO2S2C4H11 AB2C2D4E11 -178.72 3.38 -9.34 -0.32 0
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3175 9275 1 PO4C16H35 AB4C16D35 -316.24 3.11 -10.71 0.8 0
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3176 9276 1 NO4C19H19 AB4C19D19 -99.37 2.57 -8.29 -0.52 0
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3177 9277 1 BrOSN2C18H21 ABCD2E18F21 0.62 7.68 -8.33 -0.41 0
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3178 9281 2 ClO3N5H15C20 AB3C5D15E20 258.06 4.55 -8.61 -2.13 0
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3179 9282 2 O3N5H15C20 A3B5C15D20 301.17 7.99 -7.2 -2.04 2
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3180 9283 1 ClN4H15C19 AB4C15D19 176.82 9.75 -8.47 -1.83 0
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3181 9284 1 N4H15C19 A4B15C19 168.26 1.76 0.0 0.0 1
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3182 9285 1 SN2O4C14H14 AB2C4D14E14 -67.89 11.03 -9.77 -2.59 0
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3183 9286 1 N2H11C13 A2B11C13 71.29 3.76 0.0 0.0 1
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3184 9289 1 C6O7H12 A6B7C12 -320.03 3.07 -11.08 -0.01 0
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3185 9290 1 CaC12O14H22 AB12C14D22 -724.39 3.35 -10.09 -0.26 0
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3186 9291 1 FeC12O14H24 AB12C14D24 -457.05 4.17 -7.7 -0.22 0
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3187 9294 1 NOC10H15 ABC10D15 -30.32 3.25 -9.15 0.36 0
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3188 9297 1 NOC8H15 ABC8D15 -56.01 3.72 -10.24 1.03 0
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3189 9301 1 BrNO2C8H14 ABC2D8E14 -91.38 2.76 -8.8 -0.01 0
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3190 9303 1 I2N2O5C11H16 A2B2C5D11E16 -171.66 10.03 -8.89 -1.11 0
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3191 9307 1 NO4C10H13 AB4C10D13 -151.9 3.82 -8.9 -0.27 0
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3192 9308 1 NO2C9H20 AB2C9D20 -81.32 2.14 0.0 0.0 1
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3193 9309 1 C9H10 A9B10 32.61 0.36 -9.36 0.39 0
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3194 9311 1 N2C13H32 A2B13C32 101.45 0.22 -2.0 -0.59 2
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3195 9312 1 NOC5H7 ABC5D7 2.46 3.17 -10.0 0.29 0
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3196 9314 1 AsClO3C7H14 ABC3D7E14 -128.9 1.82 -10.32 -0.47 0
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3197 9315 1 AlO5C36H71 AB5C36D71 -288.65 1.29 -9.36 -0.04 0
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3198 9316 1 O2C19H32 A2B19C32 -104.87 1.9 -9.4 0.81 0
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3200 9318 1 SnO4C16H30 AB4C16D30 -152.03 1.32 -6.07 -1.3 0
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3201 9319 1 NSO2C15H27 ABC2D15E27 -106.35 5.18 -9.63 -0.64 0
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3202 9322 1 CNS ABC 68.03 2.53 0.0 0.0 -1
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3203 9323 1 CSN2O4H8 ABC2D4E8 -162.12 7.67 -10.8 0.15 0
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3204 9324 1 ClO4C23H29 AB4C23D29 -187.41 3.59 -9.75 -0.86 0
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3205 9326 1 NO11C34H47 AB11C34D47 -339.8 4.39 -8.65 -0.62 0
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3206 9327 2 ON2C20H23 AB2C20D23 156.78 11.02 -5.02 -0.5 2
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3207 9328 2 NO6C19H22 AB6C19D22 -414.12 8.33 -8.52 -0.6 0
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3208 9330 1 NO3C20H25 AB3C20D25 -90.59 2.7 -8.88 -0.11 0
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3209 9331 1 ON4C27H34 AB4C27D34 19.96 6.85 -8.65 -0.06 0
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3210 9332 1 PN3O3C7H14 AB3C3D7E14 -137.14 3.24 -10.01 -0.01 0
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3211 9334 1 NOCl3C5H12 ABC3D5E12 -63.42 5.06 -9.56 -0.05 0
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3212 9335 1 NOCl2C5H11 ABC2D5E11 -29.69 4.26 -9.72 -0.03 0
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3213 9336 1 BrNOC10H16 ABCD10E16 -28.33 12.64 -8.02 -0.79 0
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3214 9337 2 ClC2F3 AB2C3 -316.76 2.25 -10.89 -1.79 0
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3215 9338 1 O4H6C7 A4B6C7 -158.27 5.97 -9.72 -0.96 0
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3216 9339 1 N2O5C10H12 A2B5C10D12 -62.52 3.26 -10.29 -1.88 0
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3217 9340 1 ClN2C17H19 AB2C17D19 48.0 2.08 -8.93 -0.1 0
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3218 9341 1 NO5C16H27 AB5C16D27 -227.48 2.55 -9.1 0.36 0
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3219 9342 1 NO7C21H33 AB7C21D33 -308.07 1.46 -9.06 -0.06 0
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3220 9347 2 O2C22H33 A2B22C33 -147.36 3.87 -8.99 -1.57 0
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3221 9348 1 O3H10C13 A3B10C13 -82.34 7.42 -9.79 -0.92 0
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3222 9349 1 FOH17C21 ABC17D21 -4.85 2.42 -8.66 -0.2 0
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3223 9350 1 FH15C20 AB15C20 36.83 1.97 -9.28 -0.22 0
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3224 9351 1 ClN4C8H9 AB4C8D9 54.01 8.01 -9.42 -1.49 0
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3225 9352 1 N2O2H16C17 A2B2C16D17 -56.69 4.88 -8.09 -0.31 0
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3226 9353 2 NC6H8 AB6C8 18.4 1.8 -8.3 0.11 0
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3227 9355 1 NNaO8C14H26 ABC8D14E26 -449.57 8.67 -9.21 0.02 0
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3228 9356 1 NO8C14H27 AB8C14D27 -387.93 7.0 -9.12 0.16 0
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3229 9357 1 KNaC4H4O6 ABC4D4E6 -365.4 1.83 -9.06 0.51 0
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3231 9360 1 NO20C43H79 AB20C43D79 -1003.29 8.77 -9.04 0.17 0
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3232 9362 1 ON2H8C12 AB2C8D12 73.3 0.69 -8.84 -1.58 0
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3233 9364 1 O4H6C9 A4B6C9 -104.3 5.68 -8.76 -1.46 0
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3234 9365 1 O2N5C23H25 A2B5C23D25 -15.27 4.16 -8.49 -0.42 0
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3235 9368 1 INaC2H2O2 ABC2D2E2 -114.3 6.27 -9.43 -0.64 0
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3236 9372 1 ClNO2C12H14 ABC2D12E14 -28.22 2.14 -9.33 0.2 0
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3237 9373 1 ClNC11H14 ABC11D14 40.65 5.27 -9.68 -0.03 0
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3238 9374 1 BrNPO5C7H9 ABCD5E7F9 -221.92 2.86 -9.58 -0.53 0