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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146265 53661325 1 ClFO2C10H10 ABC2D10E10 -129.08 2.17 -9.69 -0.38 0
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146266 53661326 1 N4O4C19H20 A4B4C19D20 -54.88 7.08 -8.88 -1.71 0
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146267 53662097 1 O3N8C13H22 A3B8C13D22 -43.41 3.7 -8.67 -0.37 0
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146268 53662305 1 O3N5C27H31 A3B5C27D31 25.25 1.59 -8.24 -0.12 0
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146269 53662306 1 OS3C8H14 AB3C8D14 5.54 6.08 -8.6 -1.06 0
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146270 53662307 1 SN2Cl3O5H13C18 AB2C3D5E13F18 -149.72 4.88 -9.16 -1.68 0
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146271 53662462 1 S2N5O7H51C56 A2B5C7D51E56 7.95 3.24 -8.95 -0.8 1
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146272 53662663 1 N2O7C11H17 A2B7C11D17 -250.77 3.89 0.0 0.0 0
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146273 53662991 1 NO5C14H29 AB5C14D29 -248.89 5.91 -9.52 0.94 0
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146274 53663311 1 FN2O3C32H37 AB2C3D32E37 -125.07 3.86 -8.68 -0.39 1
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146275 53663364 1 SC2N4H7 AB2C4D7 82.38 5.11 0.0 0.0 0
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146276 53663436 2 NC10H15 AB10C15 116.95 3.93 -7.98 1.09 0
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146277 53663847 1 FN2O3C22H25 AB2C3D22E25 -144.97 8.4 -9.47 -0.65 0
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146278 53663888 1 NO2C16H19 AB2C16D19 -66.66 1.8 -8.53 -0.44 0
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146279 53663949 1 ON3H11C16 AB3C11D16 76.66 2.02 -9.4 -1.09 0
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146280 53664419 2 ClNSO3H8C9 ABCD3E8F9 -212.97 2.32 -9.14 -1.01 0
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146281 53664420 3 N3O3C13H19 A3B3C13D19 -393.54 12.85 -8.98 -0.61 0
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146282 53664421 1 N4O5C33H38 A4B5C33D38 -172.62 2.52 -9.05 -1.07 0
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146283 53664422 1 Cl2O4H12C13 A2B4C12D13 -137.88 5.85 -9.95 -1.25 0
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146284 53664423 1 Cl2O4H12C13 A2B4C12D13 -138.32 2.19 -9.91 -1.2 0
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146285 53664424 1 NC16H19 AB16C19 31.74 3.06 -9.25 -0.07 0
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146286 53664425 1 NOC4H9 ABC4D9 -9.63 0.44 -9.61 1.15 0
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146287 53664426 1 OSN2C19H26 ABC2D19E26 -15.86 2.69 -8.54 -0.07 0
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146288 53664427 1 N3O8C18H27 A3B8C18D27 -337.76 6.74 -9.78 -0.5 0
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146289 53664428 1 SO3N4C13H24 AB3C4D13E24 -99.94 2.83 -8.41 -0.4 0
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146290 53664631 1 NO3C27H33 AB3C27D33 -109.29 2.74 -8.44 0.38 0
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146291 53664935 1 OC18H18 AB18C18 11.08 3.11 -9.33 -0.12 0
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146292 53664965 1 BrClO3N4H24C25 ABC3D4E24F25 -21.75 5.99 -9.04 -1.05 0
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146293 53665114 1 ON2C13H28 AB2C13D28 -85.5 3.52 -8.96 0.98 0
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146294 53665375 1 SN3O5C31H33 AB3C5D31E33 -125.61 7.48 -9.5 -1.17 0
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146295 53665621 1 SN3O4H17C19 AB3C4D17E19 -84.18 3.49 -9.07 -1.8 0
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146296 53665622 1 O2C23H38 A2B23C38 -102.77 1.23 -9.45 0.59 0
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146297 53666286 1 NOSCl2H11C14 ABCD2E11F14 19.99 0.57 -9.68 -1.12 0
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146298 53666486 1 N2O2C31H34 A2B2C31D34 11.63 3.66 -8.63 -0.76 0
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146299 53666555 1 NO2C21H27 AB2C21D27 -57.12 2.26 -8.2 -0.39 0
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146300 53666575 1 FC28H29 AB28C29 5.3 2.26 -9.04 -0.22 0
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146301 53666576 1 ClO10N12H113C131 AB10C12D113E131 -64.55 24.62 -8.56 -1.28 0
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146302 53666577 2 ON2H10C12 AB2C10D12 19.35 6.26 -9.08 -1.0 0
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146303 53666845 1 SO2N3C12H15 AB2C3D12E15 -20.17 5.05 -9.38 -2.07 0
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146304 53666952 2 OC6H11 AB6C11 -125.99 3.42 -9.68 1.03 0
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146305 53667261 1 F5C28H39 A5B28C39 -296.42 6.11 -9.57 -0.9 0
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146306 53667262 1 ClNOC20H20 ABCD20E20 10.57 5.55 -8.82 -0.51 0
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146307 53668097 1 O5C16H28 A5B16C28 -246.04 5.11 -10.06 0.38 0
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146308 53668156 1 N4O5C33H40 A4B5C33D40 -148.61 1.87 -8.77 -0.39 0
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146309 53668364 1 BrSN4O4H17C19 ABC4D4E17F19 2.29 2.04 -9.17 -1.45 0
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146310 53668365 1 OS2N4C6H10 AB2C4D6E10 -0.92 3.85 -8.72 -0.92 0
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146311 53668366 1 N3O3C32H33 A3B3C32D33 -47.76 4.08 -8.46 -0.79 0
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146312 53669147 1 O3N5C19H19 A3B5C19D19 -29.31 5.77 -9.35 -1.34 0
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146313 53669148 2 OC11H16 AB11C16 -107.3 3.97 -8.31 0.74 0
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146314 53669149 1 S2C19H38 A2B19C38 -85.6 3.77 -8.25 -0.93 0