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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399240 135039044 1 O3H10C16 A3B10C16 -8.76 1.74 -9.46 -1.23 0
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399241 135039050 1 OSC17H22 ABC17D22 2.59 3.94 -8.61 -0.41 0
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399242 135039072 1 FO3H13C15 AB3C13D15 -119.31 2.93 -9.19 -0.36 -1
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399243 135039081 1 O5C14H23 A5B14C23 -145.3 4.6 0.0 0.0 0
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399244 135039102 1 O6C13H14 A6B13C14 -202.61 4.15 -9.65 -0.95 1
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399245 135039106 1 ON3C11H14 AB3C11D14 36.18 3.4 0.0 0.0 0
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399246 135039119 1 O4C13H20 A4B13C20 -109.58 4.75 -10.24 -1.26 0
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399247 135039126 1 ClNSO4C13H16 ABCD4E13F16 -101.21 4.73 -9.36 -0.87 0
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399248 135039134 1 NOC10H19 ABC10D19 -85.99 4.02 -9.51 1.36 0
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399249 135039145 1 NO6C9H17 AB6C9D17 -275.33 5.42 -10.07 0.69 0
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399251 135039171 1 O5C15H16 A5B15C16 -156.28 4.44 -9.16 -0.18 0
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399252 135039178 1 N2O2C15H18 A2B2C15D18 22.94 6.33 -8.75 -0.32 0
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399253 135039180 3 OC3H4 AB3C4 -96.23 2.67 -10.62 0.25 0
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399254 135039184 1 OSC13H26 ABC13D26 -105.13 1.74 -8.7 0.47 0
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399255 135039186 1 NSO3C12H17 ABC3D12E17 -102.34 5.47 -9.81 -0.55 0
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399256 135039190 2 NOH6C7 ABC6D7 2.18 3.02 -8.56 -0.78 0
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399257 135039202 1 N2C15H22 A2B15C22 13.88 1.52 -8.72 -0.12 0
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399258 135039204 1 OSiC12H26 ABC12D26 -92.88 1.46 -8.84 0.93 0
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399260 135039219 1 O5C14H20 A5B14C20 -201.98 2.19 -9.36 0.31 0
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399261 135039225 1 ClN2O2C14H17 AB2C2D14E17 -5.99 5.79 -8.84 -0.46 0
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399262 135039227 1 IN2O2H13C14 AB2C2D13E14 9.58 5.48 -8.66 -1.05 0
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399263 135039234 1 O3C11H14 A3B11C14 -85.53 2.44 -8.39 0.06 0
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399264 135039235 1 O3C17H26 A3B17C26 -124.94 2.21 -9.66 0.04 0
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399265 135039237 1 O2C13H14 A2B13C14 -68.37 5.22 -9.36 -0.49 -1
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399266 135039247 1 O2H13C14 A2B13C14 1.53 1.44 0.0 0.0 0
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399267 135039259 1 O3C14H16 A3B14C16 -81.9 2.89 -9.38 1.02 0
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399268 135039264 1 NSO6C23H23 ABC6D23E23 -188.46 5.57 -9.22 -1.42 0
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399269 135039267 1 NO3C13H15 AB3C13D15 -108.7 4.32 -9.66 0.08 0
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399270 135039287 1 NOSSiC10H21 ABCDE10F21 -101.45 5.54 -8.55 -0.27 0
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399271 135039288 1 ClNO3C13H14 ABC3D13E14 -118.24 4.26 -9.57 -0.32 0
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399272 135039289 2 NO3C12H14 AB3C12D14 -150.9 5.9 -9.51 -0.55 0
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399273 135039292 1 NC18H23 AB18C23 30.0 1.38 -8.66 0.38 0
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399274 135039308 1 O2C15H24 A2B15C24 -110.09 3.84 -9.32 0.25 0
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399275 135039314 1 NOH7C10 ABC7D10 37.77 3.6 -9.72 -1.12 0
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399276 135039328 1 BrNCl2O2C9H16 ABC2D2E9F16 -91.52 4.81 -9.66 -0.43 0
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399277 135039340 1 OC17H24 AB17C24 -25.39 1.75 -9.51 0.22 0
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399278 135039348 1 CsO2C7H11 AB2C7D11 -85.66 4.2 -7.05 0.68 0
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399279 135039365 1 ClNSH14C16 ABCD14E16 45.81 3.32 -8.45 -0.37 0
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399280 135039388 1 NSC17H17 ABC17D17 52.74 1.43 -8.42 -0.01 0
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399281 135039389 1 NO2C10H17 AB2C10D17 -65.9 2.92 -9.9 0.7 0
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399282 135039393 2 O3C7H10 A3B7C10 -234.61 2.13 -9.63 -0.72 0
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399283 135039396 1 ON2H12C15 AB2C12D15 70.71 6.12 -8.92 -1.01 -1
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399284 135039399 1 NC16H16 AB16C16 75.68 1.67 0.0 0.0 0
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399285 135039401 1 NOC13H21 ABC13D21 -42.73 0.99 -8.13 0.52 0
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399286 135039402 1 O3C13H16 A3B13C16 -118.76 4.15 -9.62 0.04 0
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399287 135039407 1 O4C9H14 A4B9C14 -175.35 3.06 -9.84 0.06 0
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399288 135039425 1 CsOC6H11 ABC6D11 -59.1 12.94 -6.07 -0.26 0
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399289 135039426 1 OC6H12 AB6C12 -54.73 2.34 -9.8 1.06 0
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399290 135039433 1 SiO4C13H28 AB4C13D28 -246.31 3.07 -8.96 0.43 0
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399291 135039437 1 IO3C7H11 AB3C7D11 -105.18 2.84 -10.11 -1.2 -1
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399292 135039451 1 NH14C15 AB14C15 84.62 1.82 0.0 0.0 0
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399293 135039456 1 NOC13H19 ABC13D19 23.98 1.99 -9.51 -0.07 0
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399294 135039465 1 NC16H17 AB16C17 59.03 2.05 -8.09 0.3 0
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399295 135039467 1 INSO4C8H14 ABCD4E8F14 -148.18 2.36 -9.96 -1.06 0
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399296 135039479 1 NSO3C13H19 ABC3D13E19 -99.7 5.23 -9.1 0.15 0
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399297 135039482 2 NOC6H6 ABC6D6 36.61 5.02 -9.57 -1.25 0
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399298 135039484 1 IO2H7C13 AB2C7D13 2.55 4.84 -9.23 -1.3 0
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399299 135039499 1 NOC12H15 ABC12D15 0.46 3.4 -9.25 0.22 0
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399300 135039502 1 FNSH14C16 ABCD14E16 7.8 2.87 -8.5 -0.34 0
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399301 135039509 1 ClNO2C13H14 ABC2D13E14 -76.65 2.49 -8.78 -0.46 0
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399302 135039516 1 O3C12H16 A3B12C16 -110.64 1.43 -9.4 0.32 0
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399303 135039517 2 OC5H5 AB5C5 12.65 1.54 -9.03 -0.39 0
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399304 135039523 1 FSiO2C8H15 ABC2D8E15 -183.84 6.18 -9.65 -0.08 0
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399305 135039530 1 OC13H18 AB13C18 -33.97 2.59 -9.31 0.35 0
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399306 135039542 1 O2C15H24 A2B15C24 -87.0 6.3 -8.93 -0.37 0
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399308 135039578 1 O4C15H24 A4B15C24 -191.99 7.52 -10.23 -0.49 0
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399309 135039583 1 NOSCl2C9H13 ABCD2E9F13 -62.0 2.02 -8.62 -0.5 0
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399310 135039592 1 OSN2C14H18 ABC2D14E18 -8.17 6.52 -7.8 -0.05 0
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399311 135039593 1 OSC16H20 ABC16D20 -8.68 1.97 -9.39 0.05 0
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399312 135039595 1 PO3C11H21 AB3C11D21 -205.05 3.44 -10.41 0.44 0
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399313 135039597 1 NOCl2H7C10 ABC2D7E10 -4.73 2.18 -9.27 -1.04 0
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399314 135039607 1 ON2H10C13 AB2C10D13 26.01 4.1 -8.38 -0.78 0
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399315 135039620 1 SiN2O2C14H20 AB2C2D14E20 -82.73 4.5 -8.83 -0.01 0
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399316 135039621 1 NO2C11H11 AB2C11D11 -25.46 2.9 -8.98 -0.29 0
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399317 135039622 2 FOH5C6 ABC5D6 -118.32 4.34 -9.83 -0.58 0
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399318 135039623 2 N2C5H5 A2B5C5 86.79 3.02 -8.83 -0.79 0
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399319 135039624 1 OC16H30 AB16C30 -92.57 2.27 -9.64 1.3 0
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399320 135039625 1 OSN2C12H24 ABC2D12E24 -77.3 5.48 -8.53 -0.18 0
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399321 135039626 1 NF2O2H9C10 AB2C2D9E10 -138.95 2.21 -10.4 -0.86 0
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399322 135039630 1 O2C17H24 A2B17C24 -90.16 1.06 -9.21 0.34 0
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399323 135039631 1 OC15H16 AB15C16 -15.51 1.27 -8.27 0.19 0
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399324 135039636 1 ClOF5C9 ABC5D9 -179.69 3.3 -11.01 -2.33 0
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399325 135039637 1 BrLi2H9C10 AB2C9D10 50.58 11.6 -7.48 1.34 0
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399326 135039638 1 BrC10H11 AB10C11 24.94 2.34 -9.49 0.22 0
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399327 135039653 1 NOF6H9C10 ABC6D9E10 -330.47 6.45 -9.5 -0.49 0
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399328 135039657 2 OC7H10 AB7C10 -70.8 3.06 -8.78 0.23 0
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399329 135039667 1 BrNF6H6C9 ABC6D6E9 -285.96 3.36 -10.21 -1.05 0
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399330 135039680 1 N2F6C11H12 A2B6C11D12 -290.93 7.38 -8.67 -0.3 0
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399331 135039681 2 OC8H9 AB8C9 -42.57 3.65 -9.49 -0.17 0
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399332 135039690 1 NOH11C12 ABC11D12 18.11 3.49 -9.98 -0.75 -1
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399333 135039697 1 N2H3F6C8 A2B3C6D8 -238.84 0.6 0.0 0.0 0
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399334 135039702 2 SO2C7H10 AB2C7D10 -184.52 5.29 -8.54 0.13 0
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399335 135039707 1 O2N3C13H17 A2B3C13D17 -62.4 5.48 -9.3 -0.57 0
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399336 135039714 1 O2C9H16 A2B9C16 -113.36 1.58 -9.78 2.08 -1
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399337 135039724 1 ClN2H4C6 AB2C4D6 71.62 2.81 0.0 0.0 0
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399338 135039725 1 BrNSH14C16 ABCD14E16 57.56 3.3 -8.46 -0.39 0
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399339 135039740 1 ClNC14H14 ABC14D14 20.71 2.62 -8.16 -0.01 0
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399340 135039742 1 O3C11H18 A3B11C18 -112.37 1.89 -10.28 0.38 0
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399341 135039746 1 O3C14H16 A3B14C16 -108.73 1.57 -9.51 -0.07 0
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399342 135039749 1 ClNOC14H14 ABCD14E14 -7.86 3.05 -8.1 -0.02 0