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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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22252 596416 1 FOSN2H15C16 ABCD2E15F16 -7.16 2.44 -8.69 -0.44 0
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22253 596417 1 ClOSN2H15C16 ABCD2E15F16 25.4 2.73 -8.54 -0.3 0
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22254 596422 1 SO2N3C10H11 AB2C3D10E11 -26.09 3.7 -9.01 -0.77 0
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22255 596423 1 SN2O3C12H12 AB2C3D12E12 -93.36 7.53 -9.4 -1.02 0
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22256 596424 1 OF7H7C9 AB7C7D9 -363.34 5.2 -9.88 -0.4 0
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22257 596425 1 SO2N3C14H17 AB2C3D14E17 -42.58 1.07 -8.89 -0.64 0
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22258 596428 1 SN2O3C27H32 AB2C3D27E32 -74.33 8.09 -8.48 -0.7 0
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22259 596430 2 NOC10H14 ABC10D14 -25.17 2.94 -8.38 0.37 0
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22260 596432 1 N2O4C11H14 A2B4C11D14 -99.69 4.12 -9.09 -0.1 0
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22261 596436 1 O2N4C9H10 A2B4C9D10 -31.73 8.54 -9.74 -1.89 0
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22262 596444 1 OCl2N3H5C7 AB2C3D5E7 16.91 4.31 -9.99 -1.66 0
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22263 596445 3 O2C7H8 A2B7C8 -181.59 4.93 -8.41 0.02 0
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22264 596447 1 OCl2N5H13C14 AB2C5D13E14 2.83 5.42 -9.1 -0.85 0
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22265 596454 1 O5C11H12 A5B11C12 -209.74 6.61 -9.83 -0.76 0
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22266 596456 1 NO3C25H25 AB3C25D25 -38.72 4.3 -8.2 -0.47 0
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22267 596457 1 BrN2O4H15C16 AB2C4D15E16 -91.74 5.89 -8.67 -0.57 0
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22268 596459 1 NO3C9H9 AB3C9D9 -91.64 1.67 -10.61 -1.44 0
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22269 596464 1 FeSiO2C9H13 ABC2D9E13 -86.16 2.94 0.0 0.0 -5
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22270 596469 4 OC5H6 AB5C6 -82.74 6.32 -8.57 -0.42 0
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22271 596470 1 SN2O2C17H18 AB2C2D17E18 2.16 3.15 -8.34 -0.1 0
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22272 596473 1 O5C11H12 A5B11C12 -203.18 3.1 -9.44 -0.84 0
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22273 596481 1 OSN2C10H10 ABC2D10E10 -12.96 3.12 -8.75 -0.58 0
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22274 596494 1 O3C8H12 A3B8C12 -118.27 0.53 -10.44 -0.38 -4
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22275 596505 1 N2O3C13H18 A2B3C13D18 -117.51 6.18 -8.84 -0.68 0
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22276 596506 1 NO3F4H5C9 AB3C4D5E9 -299.74 4.83 -10.25 -1.62 0
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22277 596507 1 IN2O3H11C14 AB2C3D11E14 11.37 5.56 -9.26 -1.58 0
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22278 596508 1 NOC19H25 ABC19D25 -5.85 2.98 -8.74 0.29 0
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22279 596509 1 N2O3C14H18 A2B3C14D18 -45.05 6.61 -9.81 -1.32 0
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22280 596510 1 SN4C17H18 AB4C17D18 86.6 5.25 -8.89 -0.62 0
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22281 596512 1 BrO2N3H14C15 AB2C3D14E15 13.44 4.76 -9.13 -0.69 0
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22282 596513 1 NO2F3H12C13 AB2C3D12E13 -183.22 4.87 -8.86 -0.79 0
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22283 596514 1 CoC16H21 AB16C21 51.36 16.57 -10.33 -5.66 -9
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22284 596515 1 C8H9 A8B9 55.78 0.69 0.0 0.0 -5
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22285 596517 1 NSO4C13H17 ABC4D13E17 -53.41 4.77 -8.62 -0.45 0
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22286 596518 1 NO2C18H23 AB2C18D23 -73.9 4.75 -8.68 0.23 0
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22287 596525 1 SO3N5H11C13 AB3C5D11E13 46.95 6.88 -9.19 -1.31 0
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22288 596526 1 NO2C20H33 AB2C20D33 -86.13 2.4 -8.87 -0.12 0
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22289 596528 1 N3O4H15C17 A3B4C15D17 -65.99 4.15 -9.11 -0.69 0
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22290 596529 1 NO3F5C13H14 AB3C5D13E14 -364.42 7.52 -9.06 -0.09 0
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22291 596530 1 NO3F5C13H14 AB3C5D13E14 -358.37 4.63 -8.54 -0.26 0
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22292 596531 2 BNC10H19 ABC10D19 -121.66 0.81 -8.91 1.57 0
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22293 596533 1 O6C19H22 A6B19C22 -203.91 1.95 -8.3 0.22 0
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22294 596534 1 ClON5C16H16 ABC5D16E16 22.98 3.38 -9.06 -0.69 0
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22295 596535 1 N2O6H14C17 A2B6C14D17 -155.6 1.78 -8.79 -1.81 0
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22296 596552 1 ON5C6H7 AB5C6D7 52.08 4.55 -9.34 -1.19 0
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22297 596554 1 O2N5C10H11 A2B5C10D11 27.41 5.48 -9.64 -1.7 0
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22298 596556 1 NO4C15H21 AB4C15D21 -157.38 3.24 -9.08 -0.11 0
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22299 596560 1 ON5C6H7 AB5C6D7 91.8 5.38 -8.82 -1.95 0
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22300 596561 1 O5C29H44 A5B29C44 -247.51 5.14 -8.68 0.14 0
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22301 596563 1 SO3C14H18 AB3C14D18 -118.46 3.36 -8.97 -0.55 0
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22302 596564 1 OSN3C11H13 ABC3D11E13 11.02 2.11 -8.98 -0.71 0
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22303 596565 1 ON2C18H26 AB2C18D26 -5.32 1.62 -7.81 0.35 0
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22304 596566 1 NO7H19C20 AB7C19D20 -256.6 6.42 -9.11 -0.94 0
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22305 596569 1 O2C13H20 A2B13C20 -106.6 3.56 -9.73 0.58 0
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22306 596570 1 O4C11H12 A4B11C12 -141.43 5.22 -9.36 -0.57 0
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22307 596571 1 O4C11H12 A4B11C12 -126.42 1.62 -8.94 -0.3 0
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22308 596572 1 NO4C17H19 AB4C17D19 -145.41 5.98 -9.17 -0.66 0
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22309 596579 2 NOC5H7 ABC5D7 -63.75 2.78 -9.8 -1.12 0
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22310 596584 1 ClOSC12H15 ABCD12E15 -38.76 3.58 -9.11 -0.56 0
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22311 596589 1 NSiS2O4C13H23 ABC2D4E13F23 -177.36 4.56 -8.7 -1.31 0
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22312 596592 1 FO4H11C12 AB4C11D12 -174.62 3.63 -10.35 -1.15 0
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22313 596624 1 NO2C17H25 AB2C17D25 -98.97 6.07 -8.43 0.39 0
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22314 596626 1 O3N4C11H16 A3B4C11D16 -33.26 6.61 -9.81 -1.25 0
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22315 596630 1 ClN4H9C13 AB4C9D13 132.79 2.27 -9.13 -1.4 0
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22316 596634 1 OSN3H13C15 ABC3D13E15 48.0 2.04 -8.98 -0.74 0
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22317 596638 1 N2O3C17H18 A2B3C17D18 -86.45 2.9 -8.84 -0.5 0
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22318 596642 1 OSiC13H22 ABC13D22 -93.14 1.12 -8.81 0.25 0
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22319 596651 2 OC6H10 AB6C10 -109.37 4.15 -9.48 0.71 0
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22320 596689 1 NO2C9H11 AB2C9D11 -78.94 6.58 -8.71 -0.4 0
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22321 596692 1 N2O5H18C20 A2B5C18D20 -172.39 3.86 -9.17 -1.04 0
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22322 596693 1 NO2C9H11 AB2C9D11 -76.37 1.19 -8.94 0.1 0
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22323 596694 1 NO5C14H17 AB5C14D17 -219.7 5.0 -9.38 -0.72 0
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22324 596695 1 O3C17H28 A3B17C28 -168.59 2.7 -9.26 0.64 0
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22325 596700 2 FON2H6C8 ABC2D6E8 -41.17 0.25 -9.4 -1.22 0
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22326 596701 1 SO2N4C11H12 AB2C4D11E12 13.97 4.44 -8.7 -0.62 0
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22327 596703 1 NOC10H15 ABC10D15 -39.51 3.29 -8.12 0.44 0
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22328 596707 1 FN2O4H19C20 AB2C4D19E20 -180.74 7.27 -8.85 -1.04 0
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22329 596713 1 NSiO2C12H19 ABC2D12E19 -113.81 2.13 -8.28 0.29 0
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22330 596734 1 NO5H15C16 AB5C15D16 -174.13 2.21 -9.1 -0.85 0
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22331 596738 6 OC3H3 AB3C3 -170.19 4.11 -9.02 -0.9 0
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22332 596750 1 SN3C7H7 AB3C7D7 47.45 6.59 -9.07 -0.66 0
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22333 596751 1 NO3C21H25 AB3C21D25 -91.18 3.56 -9.05 -0.03 0
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22334 596754 1 BrH5N6C11 AB5C6D11 205.67 8.09 -9.65 -3.05 0
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22335 596756 2 O2C7H10 A2B7C10 -184.44 3.75 -8.95 -0.6 0
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22336 596772 1 PO5C8H17 AB5C8D17 -303.34 10.48 -10.43 0.63 0
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22337 596775 1 BrN2H18C23 AB2C18D23 103.57 4.83 0.0 0.0 1
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22338 596786 1 O2H10C15 A2B10C15 17.88 3.95 -9.3 -1.21 0
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22340 596791 1 ON5C6H7 AB5C6D7 36.58 3.85 -8.97 -0.49 0
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22341 596807 1 NOSC15H21 ABCD15E21 -50.04 4.34 -8.74 -0.28 0
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22342 596828 1 FSH7C9 ABC7D9 -16.08 1.3 -8.61 -0.66 0
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22343 596829 1 ClF3H10C14 AB3C10D14 -127.84 4.15 -9.84 -0.77 0
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22344 596830 1 NSO2C12H17 ABC2D12E17 -64.05 3.24 -9.2 -1.41 0
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22345 596838 1 NO4C19H23 AB4C19D23 -152.26 6.73 -9.54 -0.33 0
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22346 596839 1 OH20C26 AB20C26 91.59 1.66 -9.37 -0.01 0
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22347 596851 1 ON3H11C14 AB3C11D14 101.54 4.22 -9.17 -0.99 0
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22348 596857 1 N3O3C19H23 A3B3C19D23 -43.84 3.12 -8.53 -0.01 0
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22349 596861 2 IH6C7 AB6C7 102.28 0.79 -9.06 -0.82 0
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22350 596874 2 H6C7 A6B7 69.93 0.52 -9.05 0.22 0
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22351 596890 1 NOF4H11C17 ABC4D11E17 -179.85 5.01 -8.64 -1.34 0
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22352 596903 1 SN2O2C8H8 AB2C2D8E8 -42.86 1.89 -9.2 -0.94 0