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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413261 135086208 1 N2O3C14H18 A2B3C14D18 -98.57 2.63 -8.65 -0.52 0
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413262 135086209 1 FN2O3C13H15 AB2C3D13E15 -134.88 3.26 -8.94 -0.74 0
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413263 135086210 1 NSO3H23C25 ABC3D23E25 14.42 4.9 -8.39 -0.6 0
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413264 135086211 1 LiON2C5H7 ABC2D5E7 -23.7 12.03 -7.81 0.86 0
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413265 135086212 1 O11C37H52 A11B37C52 -410.12 4.47 -8.9 -0.51 0
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413266 135086213 1 NOC17H25 ABC17D25 -44.49 3.14 -8.05 0.72 0
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413267 135086214 2 N2C7H8 A2B7C8 77.65 6.16 -8.3 -0.37 0
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413268 135086215 1 ON4C21H22 AB4C21D22 62.44 6.49 -8.25 -0.31 0
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413269 135086216 1 IO2H13C14 AB2C13D14 -7.03 1.99 -8.74 -0.94 0
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413270 135086217 1 O5C8H10 A5B8C10 -207.93 5.5 -10.95 -0.74 0
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413271 135086218 1 N2O2C9H18 A2B2C9D18 -77.9 4.01 -9.37 0.91 0
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413272 135086219 1 OSiC13H30 ABC13D30 -161.81 1.66 -9.57 1.57 0
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413273 135086220 1 OSiC13H20 ABC13D20 -1.54 3.01 -9.43 0.22 0
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413274 135086221 1 OSiC14H26 ABC14D26 -58.73 4.09 -9.29 -0.11 0
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413275 135086222 1 LiSiI2S2C10H21 ABC2D2E10F21 -43.2 7.29 -7.32 -0.73 0
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413276 135086223 1 NOC10H13 ABC10D13 -10.27 3.09 -9.31 -0.32 0
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413277 135086224 1 O2C13H18 A2B13C18 -52.54 0.85 -9.26 0.4 0
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413278 135086225 1 N5O5C6H7 A5B5C6D7 -15.88 9.7 -9.65 -1.88 0
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413279 135086226 1 NO3C13H19 AB3C13D19 -117.03 2.36 -8.67 0.34 0
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413280 135086227 1 OH12C13 AB12C13 43.15 3.03 -9.46 -0.35 0
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413281 135086228 1 ON2C17H34 AB2C17D34 -87.33 4.53 -8.88 1.15 0
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413282 135086229 1 NOC6H11 ABC6D11 45.1 4.95 -9.27 0.92 0
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413283 135086231 1 O4C17H24 A4B17C24 -122.34 3.6 -9.56 0.16 0
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413284 135086232 1 O3C22H26 A3B22C26 -48.86 2.45 -9.28 0.09 0
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413285 135086233 1 ClNSO3H14C18 ABCD3E14F18 -48.79 4.52 -9.44 -0.88 0
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413286 135086234 1 NO2C9H17 AB2C9D17 -63.09 2.52 -9.44 0.55 0
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413287 135086235 1 SN2O3C23H26 AB2C3D23E26 -72.73 5.48 -8.67 -0.58 0
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413288 135086236 1 N2O2H18C19 A2B2C18D19 -2.21 2.55 -8.86 -0.61 0
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413289 135086237 1 SiN2O3C28H38 AB2C3D28E38 -141.01 2.99 -8.07 -0.8 0
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413290 135086238 1 SN2O5C29H30 AB2C5D29E30 -127.31 3.08 -8.32 -0.68 0
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413291 135086239 2 OSiC9H17 ABC9D17 -210.5 3.58 -8.63 0.31 0
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413292 135086240 2 OC9H9 AB9C9 -33.69 1.1 -9.49 0.0 0
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413293 135086241 1 NO2C16H21 AB2C16D21 -61.4 4.5 -9.35 -0.67 0
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413294 135086242 1 NO4C21H31 AB4C21D31 -183.34 2.8 -9.72 -0.3 0
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413295 135086243 1 NO3H11C13 AB3C11D13 -79.87 2.46 -9.29 -1.26 0
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413296 135086244 1 NO3C16H23 AB3C16D23 -147.52 2.78 -9.3 0.34 0
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413297 135086245 1 NO6C19H23 AB6C19D23 -186.92 4.1 -8.24 -0.03 0
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413298 135086246 1 FSO2N3H8C10 ABC2D3E8F10 -46.34 6.58 -8.95 -1.53 0
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413299 135086247 1 SO6C20H22 AB6C20D22 -173.98 5.29 -8.31 -0.8 0
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413300 135086248 1 OSeH14C17 ABC14D17 71.74 4.49 -8.88 -0.81 0
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413301 135086249 1 NSiO3C18H19 ABC3D18E19 -5.7 7.81 -9.84 -1.2 0
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413302 135086250 1 SiO2C19H22 AB2C19D22 -40.72 1.39 -8.78 0.28 0
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413303 135086251 1 SiO2C18H20 AB2C18D20 -32.79 2.48 -8.88 0.2 0
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413304 135086252 1 NSeO2C20H27 ABC2D20E27 -40.49 1.97 -8.51 -0.35 0
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413305 135086253 1 NSeH31C33 ABC31D33 151.0 0.79 -8.59 -0.44 0
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413306 135086254 1 O2C19H20 A2B19C20 -22.9 2.39 -8.91 0.18 0
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413307 135086255 1 OSSiC16H18 ABCD16E18 6.47 2.38 -8.87 -0.01 1
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413308 135086256 1 NH12C15 AB12C15 68.32 1.97 0.0 0.0 1
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413309 135086257 1 NH16C21 AB16C21 90.95 2.34 0.0 0.0 0
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413310 135086258 2 O2C7H8 A2B7C8 -135.34 2.92 -10.14 -0.72 0
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413311 135086259 1 NOC15H21 ABC15D21 -37.79 3.65 -9.47 0.2 1
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413312 135086260 1 NC15H18 AB15C18 21.4 2.7 0.0 0.0 0
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413313 135086261 1 PO3F4H15C16 AB3C4D15E16 -332.6 6.77 -9.55 -0.6 0
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413314 135086262 1 PO3Cl4H15C16 AB3C4D15E16 -181.42 5.17 -9.31 -0.66 0
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413315 135086263 1 BPF4H16C18 ABC4D16E18 -232.08 2.57 -8.75 -0.53 0
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413316 135086264 1 PCl2F2O3H15C16 AB2C2D3E15F16 -257.93 5.1 -9.52 -0.72 0
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413317 135086265 1 O5C14H16 A5B14C16 -178.47 2.55 -9.21 -0.93 0
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413318 135086266 1 O3C17H18 A3B17C18 -97.85 2.83 -9.26 -1.04 0
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413319 135086267 3 OC5H6 AB5C6 -113.1 2.34 -9.23 0.19 0
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413320 135086268 1 O4C15H18 A4B15C18 -149.45 4.3 -8.88 0.09 0
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413321 135086269 1 ClO3C16H19 AB3C16D19 -137.16 5.03 -9.28 -0.01 0
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413322 135086270 1 O3C17H22 A3B17C22 -136.54 2.86 -9.09 0.49 0
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413323 135086271 1 O3C17H22 A3B17C22 -135.87 3.45 -8.98 0.53 0
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413324 135086272 1 NSCl2O3H11C14 ABC2D3E11F14 -77.81 2.31 -9.71 -0.92 0
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413325 135086273 1 SO5C18H18 AB5C18D18 -165.83 4.87 -9.63 -0.97 0
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413326 135086274 1 O2N3C13H15 A2B3C13D15 12.08 1.97 -9.59 -0.4 1
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413327 135086275 1 NC9H12 AB9C12 15.99 1.47 0.0 0.0 0
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413328 135086276 1 NO6C15H15 AB6C15D15 -211.96 4.33 -9.07 -1.1 0
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413329 135086277 1 N2O3C14H14 A2B3C14D14 -15.22 2.35 -9.6 -1.71 0
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413330 135086278 1 BrNO3H14C19 ABC3D14E19 -36.56 2.36 -8.98 -1.19 0
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413331 135086279 1 N2O5H14C19 A2B5C14D19 -38.68 0.74 -8.95 -1.52 0
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413332 135086280 1 BrN2H25C28 AB2C25D28 137.14 2.53 -8.34 -0.71 0
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413333 135086281 1 BrN2C26H29 AB2C26D29 91.37 3.56 -8.29 -0.25 0
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413334 135086282 1 ClN2O2H9C12 AB2C2D9E12 39.54 5.94 -10.07 -1.38 0
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413335 135086283 1 FON2C18H19 ABC2D18E19 -38.22 2.37 -8.88 -0.79 0
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413336 135086284 1 BrNSO2H12C15 ABCD2E12F15 25.84 4.33 -8.7 -0.46 0
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413337 135086285 1 FO2N4C14H15 AB2C4D14E15 -45.83 4.51 -9.27 -0.9 0
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413338 135086286 1 N2O2H18C21 A2B2C18D21 24.54 3.16 -8.78 -0.73 0
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413339 135086287 1 ON2C17H18 AB2C17D18 2.24 5.39 -8.36 -0.13 0
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413340 135086288 1 IO2C13H25 AB2C13D25 -98.87 1.63 -9.85 -1.1 0
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413341 135086289 1 O4C11H16 A4B11C16 -158.76 5.64 -8.48 -0.18 0
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413342 135086290 1 NO7H57C64 AB7C57D64 -43.27 6.02 -9.2 -1.36 0
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413343 135086291 1 O3C12H20 A3B12C20 -130.84 3.16 -10.48 0.0 0
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413344 135086292 1 N2C13H22 A2B13C22 -0.61 1.04 -7.7 1.56 0
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413345 135086293 1 AlC13H19 AB13C19 -2.4 0.79 -9.2 0.45 0
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413346 135086294 1 NSO3C10H19 ABC3D10E19 -114.32 3.53 -9.7 0.62 0
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413347 135086295 2 NC8H14 AB8C14 -14.24 1.71 -7.75 1.5 0
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413348 135086296 1 OI2N2H8C11 AB2C2D8E11 59.06 6.17 -9.14 -1.42 0
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413349 135086297 1 SnS2C14H14 AB2C14D14 28.39 2.61 -8.43 -0.64 0
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413350 135086298 1 FeC14H16 AB14C16 160.96 5.76 -7.76 -0.07 0
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413351 135086299 2 SC7H9 AB7C9 23.41 2.33 -8.6 0.14 0
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413352 135086300 1 NPWO5C9H12 ABCD5E9F12 53.96 16.04 -7.64 -0.36 0
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413353 135086301 1 AsS2C14H23 AB2C14D23 -11.65 1.25 -8.58 -0.66 0
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413354 135086302 1 N3O10C34H41 A3B10C34D41 -284.13 5.38 -9.48 -0.49 0
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413355 135086303 4 OC3H4 AB3C4 -133.69 1.68 -10.88 -0.35 0
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413356 135086304 1 NOC8H15 ABC8D15 -15.11 1.2 -9.78 0.86 0
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413357 135086305 2 OC9H10 AB9C10 -45.83 2.62 -9.13 -0.14 0
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413358 135086306 1 O2C19H22 A2B19C22 -43.87 3.01 -9.48 0.05 0
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413359 135086307 1 SN2O3C20H20 AB2C3D20E20 -57.35 5.99 -8.71 -0.62 0
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413360 135086308 1 NOC13H15 ABC13D15 19.97 3.29 -8.42 -0.13 0