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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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434107 135174265 1 O2F3N3C23H30 A2B3C3D23E30 -208.65 7.82 -8.99 -1.0 0
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434108 135174266 1 BrClO2N3C22H25 ABC2D3E22F25 -26.53 2.02 -8.47 -1.01 0
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434109 135174267 1 SO3N5C27H37 AB3C5D27E37 -73.53 4.09 -8.74 -0.71 0
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434110 135174268 1 ON2H34C48 AB2C34D48 180.68 3.35 -7.9 -0.33 0
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434111 135174269 1 FP2S3O9N10C21H27 AB2C3D9E10F21G27 -451.38 13.94 -9.14 -1.18 0
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434115 135174273 1 P2S2F3O9N10C20H25 A2B2C3D9E10F20G25 -528.83 9.72 -8.6 -0.74 0
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434116 135174274 1 FP2S3O8N10C21H27 AB2C3D8E10F21G27 -417.93 9.38 -9.12 -0.79 0
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434118 135174276 1 FP2S3O9N10C21H27 AB2C3D9E10F21G27 -452.18 12.83 -9.22 -1.0 0
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434121 135174279 1 F2P2S3O8N10C20H24 A2B2C3D8E10F20G24 -416.22 7.41 -8.75 -1.77 0
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434123 135174281 1 N2C15H22 A2B15C22 7.07 4.95 -9.0 0.49 0
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434124 135174282 1 FPSO4N6C9H12 ABCD4E6F9G12 -201.62 3.9 -9.64 -1.0 0
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434125 135174283 1 FPSO4N6C9H12 ABCD4E6F9G12 -201.36 4.02 -9.66 -1.02 0
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434126 135174284 1 PSO4N5C10H14 ABC4D5E10F14 -167.26 5.46 -9.51 -0.95 0
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434127 135174286 1 OS3C7H10 AB3C7D10 15.2 3.08 -8.6 -0.88 0
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434128 135174287 1 F2P2S2O9N10C20H24 A2B2C2D9E10F20G24 -466.13 8.2 -8.73 -2.18 0
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434129 135174288 1 PSO5N6C9H13 ABC5D6E9F13 -182.84 11.68 -9.44 -1.23 0
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434131 135174290 1 FP2S2O9N11C21H24 AB2C2D9E11F21G24 -356.56 12.82 -9.46 -1.57 0
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434132 135174291 1 P2S2O9N10C20H26 A2B2C9D10E20F26 -376.81 11.12 -9.12 -1.23 0
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434133 135174292 1 FPSO5N6C10H14 ABCD5E6F10G14 -227.87 7.92 -9.71 -1.56 1
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434134 135174293 1 FP2S2O9N11C19H23 AB2C2D9E11F19G23 -292.74 6.13 0.0 0.0 0
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434141 135174302 1 FP2S3O8N11C19H24 AB2C3D8E11F19G24 -382.53 5.62 -9.36 -1.16 0
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434142 135174303 1 N2O3C20H24 A2B3C20D24 -58.61 3.12 -8.95 -0.74 0
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434143 135174304 1 N6C7H12 A6B7C12 86.75 5.57 -9.13 -0.16 1
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434144 135174307 1 P2N5O8C10H14 A2B5C8D10E14 -308.94 4.53 0.0 0.0 0
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434145 135174308 1 P2N9O13C21H27 A2B9C13D21E27 -571.24 9.03 -8.89 -0.73 0
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434146 135174309 1 P2N8O11C21H26 A2B8C11D21E26 -497.3 3.53 -8.96 -0.5 0
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434147 135174310 1 P2S2F3O9N10C20H23 A2B2C3D9E10F20G23 -516.45 3.19 -8.83 -2.03 0
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434149 135174312 1 PO8N11C21H28 AB8C11D21E28 -277.89 12.32 -9.06 -0.6 0
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434150 135174313 1 PN4O6C11H15 AB4C6D11E15 -272.78 2.75 -8.71 -0.29 0
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434151 135174314 1 FP2S3O8N10C20H25 AB2C3D8E10F20G25 -365.68 10.13 -8.78 -1.27 0
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434157 135174320 1 F2P2S2N8O9C21H24 A2B2C2D8E9F21G24 -529.67 4.57 -8.95 -0.68 0
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434159 135174322 1 FPO8N10C20H24 ABC8D10E20F24 -334.47 10.3 -9.16 -0.64 0
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434160 135174323 1 P2N11O13C19H27 A2B11C13D19E27 -555.45 12.09 -9.06 -0.78 0
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434161 135174324 1 FP2S3O8N9C21H28 AB2C3D8E9F21G28 -418.82 18.3 -8.85 -0.84 0
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434162 135174325 1 NPO5C6H16 ABC5D6E16 -306.92 3.08 -9.41 0.38 1
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434163 135174326 1 P2N9O11C21H26 A2B9C11D21E26 -419.23 8.06 0.0 0.0 0
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434164 135174327 1 PN2O6C7H15 AB2C6D7E15 -281.31 3.7 -9.56 0.19 0
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434166 135174329 1 F2P2S2N8O8C23H28 A2B2C2D8E8F23G28 -467.28 9.01 -8.58 -0.71 0
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434168 135174331 1 O3N4C23H30 A3B4C23D30 -78.32 5.85 -9.01 -1.1 0
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434169 135174332 1 FPSO4N6C10H18 ABCD4E6F10G18 -233.73 2.13 -9.01 -0.24 0
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434171 135174334 1 FPSO4N6C9H14 ABCD4E6F9G14 -204.98 2.59 -8.8 -0.57 1
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434172 135174335 1 FP2S2O9N10C20H24 AB2C2D9E10F20G24 -353.1 9.04 0.0 0.0 0
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434173 135174336 1 FP2S2O9N12C18H23 AB2C2D9E12F18G23 -366.42 9.87 -9.43 -1.25 0
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434174 135174337 1 FP2S2O10N11C21H32 AB2C2D10E11F21G32 -496.05 8.09 -9.02 -0.71 0
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434175 135174338 1 FP2S2O9N11C20H26 AB2C2D9E11F20G26 -401.96 6.68 -9.11 -1.64 0
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434177 135174340 2 PSN5O5C11H13 ABC5D5E11F13 -388.03 17.88 -9.11 -1.0 0
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434179 135174342 1 FP2S2O9N11C19H24 AB2C2D9E11F19G24 -403.92 7.68 -9.27 -1.47 0
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434181 135174344 1 FPSO4N5C10H13 ABCD4E5F10G13 -229.07 2.87 -9.02 -0.47 0
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434184 135174347 1 P2S2N10O11C21H24 A2B2C10D11E21F24 -436.06 4.66 -9.1 -1.06 0
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434186 135174349 1 FP2S3O8N10C20H25 AB2C3D8E10F20G25 -397.2 11.93 -8.96 -0.98 0
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434188 135174352 1 P2S2N10O11C21H24 A2B2C10D11E21F24 -426.8 9.33 -9.07 -1.13 0
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434189 135174357 1 P2S2O10N11C20H25 A2B2C10D11E20F25 -373.36 6.85 -9.37 -1.94 0
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434191 135174361 3 ON2C3H4 AB2C3D4 -24.03 8.85 -9.68 -1.49 0
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434194 135174374 1 FSP2N10O11C21H27 ABC2D10E11F21G27 -524.62 14.05 -9.2 -0.82 0
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434195 135174376 1 FN3O5C27H34 AB3C5D27E34 -200.12 2.99 -8.32 -0.17 0
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434198 135174383 1 O3H6C10 A3B6C10 -9.38 0.49 -8.67 -0.81 0
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434199 135174393 1 NOH25C26 ABC25D26 49.94 0.27 -7.93 0.05 0
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434200 135174395 2 OH5C8 AB5C8 13.7 0.82 -8.68 -0.72 0
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434201 135174398 1 O2C13H20 A2B13C20 -89.82 4.66 -9.57 0.09 0
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434202 135174409 1 NO2H23C25 AB2C23D25 22.68 1.82 -7.91 0.0 0
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434203 135174410 1 O3C10H14 A3B10C14 -121.85 3.02 -9.49 -0.27 0
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434204 135174433 1 FP2S3N9O10C20H24 AB2C3D9E10F20G24 -463.39 17.09 -9.47 -1.2 0
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434205 135174434 1 PSN4O5C12H15 ABC4D5E12F15 -200.94 15.47 -8.91 -0.59 0
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434206 135174435 1 FPSN5O5C9H11 ABCD5E5F9G11 -214.07 10.31 -9.8 -1.86 0
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434208 135174437 1 PSO5N6C9H17 ABC5D6E9F17 -233.21 10.79 -8.1 -0.09 0
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434210 135174439 1 FPSO5N6C9H12 ABCD5E6F9G12 -228.56 9.29 -9.68 -1.51 0
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434211 135174440 1 PSN4O5C10H13 ABC4D5E10F13 -203.13 11.81 -9.52 -0.69 0
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434212 135174441 1 FP2S2O10N11C18H22 AB2C2D10E11F18G22 -395.44 13.38 -9.51 -2.3 0
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434214 135174443 1 PSO4N5C10H14 ABC4D5E10F14 -146.09 10.12 -9.28 -0.72 0
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434215 135174448 1 PN4O5C11H15 AB4C5D11E15 -226.72 3.63 -9.67 -0.71 0
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434216 135174449 2 PN5O6C10H13 AB5C6D10E13 -501.0 14.29 -9.18 -0.91 0
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434217 135174450 1 PN4O5C10H13 AB4C5D10E13 -214.63 3.23 -9.99 -1.01 0
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434218 135174451 1 PN2O5C8H19 AB2C5D8E19 -288.97 3.53 -9.46 0.62 0
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434221 135174454 1 F2P2S3O8N10C21H30 A2B2C3D8E10F21G30 -459.25 6.53 -8.91 -0.8 0
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434222 135174455 1 FP2S2O9N10C20H25 AB2C2D9E10F20G25 -451.18 10.67 -8.96 -0.86 0
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434223 135174456 1 FP2S3O8N12C18H23 AB2C3D8E12F18G23 -323.81 7.43 -9.55 -1.41 0
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434225 135174458 1 F2P2S3O8N10C20H24 A2B2C3D8E10F20G24 -414.15 3.75 -9.23 -1.67 0
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434226 135174459 1 FP2S3O9N10C21H27 AB2C3D9E10F21G27 -452.93 10.09 -9.26 -1.18 0
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434228 135174461 1 PSO8N10C23H31 ABC8D10E23F31 -288.84 8.78 -8.8 -1.12 0
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434229 135174462 1 PO10N11C24H30 AB10C11D24E30 -299.86 14.45 -9.18 -0.96 0
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434232 135174465 1 Cl2F3N3O4C26H26 A2B3C3D4E26F26 -270.74 5.58 -9.88 -1.22 0
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434233 135174466 1 FO4N6C32H33 AB4C6D32E33 -96.05 4.07 -8.51 -1.06 0
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434234 135174467 2 OC8H14 AB8C14 -137.62 0.66 -9.42 0.79 0
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434235 135174468 2 O2N4C28H43 A2B4C28D43 -211.02 5.56 -8.3 0.46 0
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434236 135174469 1 NO3C13H15 AB3C13D15 -88.82 0.92 -8.75 -1.0 0
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434237 135174470 1 NO2C15H19 AB2C15D19 -69.38 3.64 -8.76 -0.52 0
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434238 135174474 1 SF2O3N7C21H21 AB2C3D7E21F21 -128.6 6.48 -8.73 -1.16 0
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434239 135174475 1 NO2C16H23 AB2C16D23 -84.38 2.5 -8.87 -0.41 0
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434240 135174476 1 O3N5C25H29 A3B5C25D29 -9.62 2.75 -8.91 -0.89 0
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434241 135174478 1 ClFSO3N8H20C22 ABCD3E8F20G22 -49.35 3.9 -8.69 -1.18 0
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434242 135174483 2 O3N6C26H29 A3B6C26D29 -42.05 7.91 -8.76 -1.05 0
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434243 135174485 1 ClO3N5C27H30 AB3C5D27E30 -45.11 5.07 -8.65 -0.87 0
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434244 135174486 1 NSO4C14H19 ABC4D14E19 -125.33 7.73 -8.63 -0.4 0
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434245 135174492 1 SF2O3N8H20C22 AB2C3D8E20F22 -88.29 6.25 -8.79 -1.23 0
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434246 135174493 1 O3N6C26H30 A3B6C26D30 -25.52 5.4 -8.84 -0.95 0
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434247 135174502 1 FSP2N9O10C21H26 ABC2D9E10F21G26 -490.76 9.42 -8.97 -0.61 0
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434248 135174507 1 OSN3C15H23 ABC3D15E23 -13.77 5.32 -8.29 -0.27 0
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434249 135174509 1 N3C8H17 A3B8C17 31.59 2.19 -7.98 0.11 0
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434250 135174511 1 ON9C21H23 AB9C21D23 74.56 2.37 -8.06 -0.37 0
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434251 135174515 2 N2C5H8 A2B5C8 42.54 5.17 -8.53 0.44 0