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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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135212 51834550 1 N2O2C33H46 A2B2C33D46 -108.75 3.72 -8.64 -0.5 0
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135213 51834563 1 N2O2F3C22H33 A2B2C3D22E33 -285.3 5.66 -9.7 -0.61 0
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135214 51834564 1 N2O2F3C22H33 A2B2C3D22E33 -284.79 6.22 -9.6 -0.48 0
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135215 51834597 1 SN2O4C27H38 AB2C4D27E38 -161.58 10.96 -9.3 -0.69 0
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135216 51835057 1 N4O5H18C19 A4B5C18D19 -134.88 4.45 -8.79 -0.58 0
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135217 51835534 2 NO3C14H15 AB3C14D15 -186.03 2.98 -8.85 -0.72 0
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135218 51835535 2 NO3C15H18 AB3C15D18 -200.42 2.66 -8.63 -0.28 0
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135219 51835606 1 N2O4C29H34 A2B4C29D34 -123.33 4.94 -8.94 -0.14 0
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135220 51835714 1 N2O4C23H30 A2B4C23D30 -129.47 6.22 -9.16 -0.22 0
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135221 51835841 1 N2F3O4C28H33 A2B3C4D28E33 -278.02 7.89 -9.3 -0.72 0
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135222 51836364 1 N2O3C22H28 A2B3C22D28 -92.18 5.3 -9.12 -0.03 0
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135223 51836365 1 N2O3C22H28 A2B3C22D28 -101.29 7.41 -8.88 -0.01 0
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135224 51836366 1 N2O3C24H34 A2B3C24D34 -120.8 6.42 -9.2 -0.05 0
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135225 51836367 1 N2O3C24H34 A2B3C24D34 -123.49 7.26 -9.26 -0.05 0
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135226 51836388 1 N2O3C21H28 A2B3C21D28 -108.55 6.13 -9.35 0.1 0
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135227 51836673 1 N3O7C25H27 A3B7C25D27 -165.64 3.02 -9.26 -1.51 -1
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135228 51836697 1 N3O6C29H32 A3B6C29D32 -104.76 3.05 0.0 0.0 0
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135229 51836987 1 N3O6C26H29 A3B6C26D29 -124.3 7.27 -9.12 -1.6 -1
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135230 51836988 1 N3O8C26H26 A3B8C26D26 -152.62 1.75 0.0 0.0 0
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135231 51836989 1 N3O8C26H27 A3B8C26D27 -192.16 6.56 -8.96 -1.25 0
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135232 51837148 1 N2O3C28H36 A2B3C28D36 -68.58 3.64 -9.32 -0.6 0
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135233 51837828 1 N2O5C26H36 A2B5C26D36 -199.42 3.74 -8.72 -0.27 0
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135234 51837966 1 N2O5C31H40 A2B5C31D40 -184.17 5.16 -8.9 -0.52 0
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135235 51838240 1 N2O5C28H34 A2B5C28D34 -166.32 7.14 -8.74 0.03 0
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135236 51838288 2 NO2C15H19 AB2C15D19 -130.14 4.78 -8.76 0.17 0
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135237 51838289 2 NO2C15H19 AB2C15D19 -125.82 5.83 -8.69 0.21 0
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135238 51838629 1 SN2O4C24H32 AB2C4D24E32 -141.09 6.65 -8.57 -0.13 0
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135239 51838630 1 SN2O4C26H38 AB2C4D26E38 -166.58 2.58 -8.84 0.03 0
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135240 51838631 1 SN2O4C26H38 AB2C4D26E38 -165.9 2.2 -8.83 0.03 0
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135241 51838712 2 NO2C15H18 AB2C15D18 -134.79 3.48 -8.8 0.15 0
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135242 51838713 2 NO2C15H18 AB2C15D18 -131.64 6.62 -8.82 -0.12 0
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135243 51838714 2 NO2C15H18 AB2C15D18 -131.09 7.9 -8.91 -0.09 0
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135244 51838715 2 NO2C15H18 AB2C15D18 -135.84 3.62 -8.96 0.04 0
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135245 51839063 1 N2O5C31H38 A2B5C31D38 -172.72 4.38 -8.57 -0.05 0
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135246 51839097 1 N2O5C29H34 A2B5C29D34 -152.12 6.97 -8.63 -0.14 0
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135247 51839707 1 N2O3C23H30 A2B3C23D30 -98.93 1.29 -8.76 0.07 0
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135248 51839777 1 N2O3C20H30 A2B3C20D30 -120.08 6.24 -9.09 0.39 0
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135249 51840281 1 ClSN2O5C24H25 ABC2D5E24F25 -144.56 7.66 -9.33 -0.48 0
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135250 51840283 1 ClN2O3C22H27 AB2C3D22E27 -112.34 2.56 -9.26 -0.21 0
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135251 51840601 1 N2O7C20H26 A2B7C20D26 -288.45 4.16 -8.83 -0.16 0
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135252 51841799 1 F3O3N4C20H23 A3B3C4D20E23 -226.9 6.51 -9.5 -0.61 0
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135253 51841955 1 N2O4C29H34 A2B4C29D34 -108.34 5.33 -8.49 -0.44 0
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135254 51842137 1 N2O3C23H30 A2B3C23D30 -91.05 7.96 -9.18 0.02 0
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135255 51842138 1 ClN3O3H16C18 AB3C3D16E18 -90.54 2.33 -9.29 -0.88 0
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135256 51842374 2 NO2C12H21 AB2C12D21 -213.84 2.03 -9.12 0.27 0
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135257 51842398 1 Cl2N2O4C21H26 A2B2C4D21E26 -150.6 5.24 -8.92 -0.82 0
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135258 51842544 1 N3O3C31H33 A3B3C31D33 -42.26 2.84 -9.04 -0.63 0
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135259 51842781 1 ClN2O4C25H27 AB2C4D25E27 -119.71 3.43 -8.86 -0.73 0
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135260 51843538 1 N2O4C33H36 A2B4C33D36 1.99 4.43 -8.74 -0.29 0
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135261 51843908 1 N2O3C20H30 A2B3C20D30 -126.66 4.58 -8.88 0.43 0
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135262 51843936 2 NO2C13H19 AB2C13D19 -172.54 2.27 -8.72 0.22 0
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135263 51844250 1 N2O3C24H34 A2B3C24D34 -136.37 3.1 -9.05 0.14 0
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135264 51844251 1 N2O3C24H34 A2B3C24D34 -135.17 0.83 -8.97 0.18 0
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135265 51844252 1 SN2O5C28H34 AB2C5D28E34 -168.15 7.81 -9.23 -0.19 0
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135266 51844253 1 SN2O5C28H34 AB2C5D28E34 -167.95 9.75 -9.11 -0.29 0
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135267 51844389 2 NOC16H19 ABC16D19 -36.83 4.56 -9.22 -0.47 0
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135268 51844594 1 N3O4C32H43 A3B4C32D43 -167.34 4.08 -8.97 -0.26 0
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135269 51844962 1 N2O2C29H38 A2B2C29D38 -89.47 3.07 -9.12 -0.06 0
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135270 51845064 2 NOC13H20 ABC13D20 -117.75 2.56 -9.14 0.04 0
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135271 51845065 2 NOC13H20 ABC13D20 -118.39 3.14 -9.21 -0.14 0
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135272 51845066 2 NOC13H20 ABC13D20 -114.49 4.66 -9.25 0.11 0
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135273 51845137 1 N2O2C25H38 A2B2C25D38 -123.18 7.0 -9.35 -0.3 0
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135274 51845460 1 N2O3C29H34 A2B3C29D34 -84.49 3.66 -8.97 0.14 0
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135275 51845461 1 N2O3C29H34 A2B3C29D34 -80.97 5.29 -8.9 -0.25 0
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135276 51845462 1 N2O3C31H36 A2B3C31D36 -83.46 3.18 -9.11 0.12 0
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135277 51845508 1 N2O4C27H30 A2B4C27D30 -105.07 5.67 -9.19 -0.33 0
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135278 51845509 1 N2O4C27H30 A2B4C27D30 -105.86 3.34 -9.09 -0.21 0
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135279 51845510 1 N2O3C29H34 A2B3C29D34 -79.49 5.65 -9.35 -0.36 0
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135280 51845513 1 N2O3C29H34 A2B3C29D34 -77.04 3.85 -9.25 -0.17 0
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135281 51845514 1 N2O3C31H36 A2B3C31D36 -78.78 4.71 -9.33 -0.23 0
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135282 51845515 1 N2O3C31H36 A2B3C31D36 -76.5 4.67 -9.24 -0.22 0
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135283 51845516 1 N2O3C31H36 A2B3C31D36 -77.04 3.67 -9.26 -0.23 0
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135284 51845517 1 N2O3C31H36 A2B3C31D36 -73.37 7.88 -9.35 -0.37 0
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135285 51845518 1 N2O3C33H42 A2B3C33D42 -97.61 4.5 -9.29 -0.21 0
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135286 51845604 1 N2O3C24H30 A2B3C24D30 -79.59 3.39 -9.43 -0.2 0
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135287 51846397 1 N2O2C33H40 A2B2C33D40 -36.47 7.38 -9.28 -0.27 0
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135288 51846459 1 N2O2C27H36 A2B2C27D36 -69.81 4.9 -9.09 -0.23 0
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135289 51846504 1 N2O3C35H46 A2B3C35D46 -106.23 5.73 -8.8 -0.72 0
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135290 51846505 1 N2O3C35H46 A2B3C35D46 -105.32 4.96 -8.68 -0.65 0
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135291 51846530 2 NOC13H17 ABC13D17 -63.44 5.85 -9.28 -0.22 0
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135292 51847622 1 N2O3C29H34 A2B3C29D34 -86.39 4.16 -8.72 -0.13 0
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135293 51847623 1 N2O3C29H34 A2B3C29D34 -81.53 5.24 -9.03 -0.14 0
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135294 51847654 1 O2N3C30H37 A2B3C30D37 -45.54 2.6 -8.1 -0.1 0
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135295 51847984 1 N4O7C26H26 A4B7C26D26 -65.45 10.8 -9.39 -2.03 0
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135296 51848025 2 N2O3C14H19 A2B3C14D19 -102.32 2.67 -9.79 -2.29 0
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135297 51848026 2 N2O3C12H15 A2B3C12D15 -79.16 2.43 -9.94 -2.31 0
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135298 51848413 1 N2O3C22H26 A2B3C22D26 -86.37 4.3 -9.18 -0.43 0
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135299 51848414 1 N2O3C24H32 A2B3C24D32 -126.11 3.22 -9.24 -0.64 0
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135300 51848415 1 N2O3C24H32 A2B3C24D32 -126.82 4.6 -9.18 -0.4 0
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135301 51848416 1 SN2O5C28H32 AB2C5D28E32 -160.5 9.31 -9.41 -0.52 0
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135302 51848417 1 SN2O5C28H32 AB2C5D28E32 -155.9 10.1 -9.38 -0.46 0
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135303 51848488 2 NO2C13H14 AB2C13D14 -116.04 3.92 -8.96 -0.26 0
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135304 51848528 2 NO3C13H14 AB3C13D14 -195.6 7.84 -9.0 -0.21 0
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135305 51849291 1 N2O3C20H24 A2B3C20D24 -85.27 3.2 -8.92 -0.28 0
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135306 51849717 1 N3O6C30H35 A3B6C30D35 -142.2 8.33 -9.23 -1.08 0
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135307 51849718 1 N3O6C26H27 A3B6C26D27 -113.99 7.37 -9.15 -1.25 0
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135308 51850642 1 N2O5C27H32 A2B5C27D32 -101.3 7.92 -8.83 -0.72 0
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135309 51850777 1 Cl2N2O3C27H28 A2B2C3D27E28 -85.68 2.69 -8.83 -0.49 0
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135310 51850800 2 ClNOC15H16 ABCD15E16 -62.2 1.65 -9.39 -0.44 0
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135311 51850802 2 ClNOC14H15 ABCD14E15 -49.56 6.94 -9.21 -0.53 0