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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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442337 135251417 1 N3O4C12H23 A3B4C12D23 -197.21 11.29 -8.93 0.2 1
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442338 135251419 1 ON2C9H19 AB2C9D19 -53.69 2.4 0.0 0.0 1
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442339 135251420 1 NOC7H12 ABC7D12 -44.04 4.8 0.0 0.0 0
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442340 135251424 1 N2O3C11H22 A2B3C11D22 -153.66 2.33 -8.93 0.19 1
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442341 135251440 1 NC7H16 AB7C16 -7.24 1.49 0.0 0.0 1
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442342 135251441 1 NOC7H12 ABC7D12 -44.05 4.82 0.0 0.0 0
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442343 135251446 1 N2O3C9H18 A2B3C9D18 -150.34 9.43 -9.58 0.5 1
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442344 135251450 1 NOC7H14 ABC7D14 -51.95 4.26 0.0 0.0 0
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442345 135251463 5 NOH3C4 ABC3D4 -32.44 9.91 -9.06 -2.02 0
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442346 135251469 1 N2O2C9H18 A2B2C9D18 -98.4 3.57 -9.36 0.43 0
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442347 135251489 1 OSN4C14H18 ABC4D14E18 35.44 4.35 -8.22 -0.62 0
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442348 135251490 1 ClOH2N2F3C7 ABC2D2E3F7 -149.39 3.66 -10.25 -1.8 0
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442349 135251491 1 SO2N7C26H33 AB2C7D26E33 -6.03 5.22 -8.31 -0.79 0
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442350 135251512 1 N5C21H27 A5B21C27 65.56 3.75 -8.89 -0.61 0
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442351 135251518 1 NO4C25H39 AB4C25D39 -194.83 1.59 -8.21 0.23 0
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442352 135251537 1 BrClO2N4H14C17 ABC2D4E14F17 30.26 6.72 -8.85 -0.89 0
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442353 135251553 1 N2O4C15H22 A2B4C15D22 -151.71 4.78 -9.11 -0.19 0
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442354 135251556 3 FC4H5 AB4C5 -147.31 2.39 -9.52 -0.24 0
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442355 135251557 6 FC2H2 AB2C2 -297.43 5.8 -10.08 -1.16 0
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442356 135251558 1 F2C13H18 A2B13C18 -107.59 2.13 -9.11 0.07 0
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442357 135251559 1 N2S2F3O5C17H25 A2B2C3D5E17F25 -339.37 8.44 -9.54 -1.23 0
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442358 135251560 1 S2O4F5H5C8 A2B4C5D5E8 -362.75 2.01 -10.59 -1.68 0
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442359 135251565 3 FC5H7 AB5C7 -176.15 4.44 -8.82 -0.08 0
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442360 135251566 1 O5N17H33C35 A5B17C33D35 187.91 6.16 -9.11 -1.37 0
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442361 135251567 1 O5N17H31C34 A5B17C31D34 201.36 8.84 -9.2 -1.42 0
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442362 135251574 1 PN2C9H13 AB2C9D13 46.54 1.55 -9.37 -0.44 0
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442363 135251576 1 N2O2C9H10 A2B2C9D10 -33.6 2.62 -9.91 -1.32 0
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442364 135251584 1 N3O3C31H37 A3B3C31D37 -72.69 6.94 -8.86 -0.48 0
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442365 135251586 1 FN3O3C32H36 AB3C3D32E36 -103.53 7.9 -8.76 -0.41 0
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442366 135251590 1 ON2S2C12H20 AB2C2D12E20 -52.43 1.31 -8.89 -0.84 0
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442367 135251610 1 NO2C21H35 AB2C21D35 -124.58 2.72 -9.74 -0.01 0
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442368 135251624 1 FH17C21 AB17C21 12.79 2.31 -8.77 -0.45 0
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442369 135251629 1 FO2N3C22H24 AB2C3D22E24 -89.56 6.51 -9.12 -0.65 0
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442370 135251631 1 NOH39C58 ABC39D58 203.39 1.36 -7.9 -0.72 0
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442371 135251635 1 N2H50C67 A2B50C67 249.35 0.8 -7.99 -0.47 0
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442372 135251641 1 N3O5C18H25 A3B5C18D25 -206.08 8.03 -9.25 -0.66 0
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442373 135251665 1 SC10H20 AB10C20 -47.91 2.66 -8.42 0.78 0
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442374 135251666 1 OC10H20 AB10C20 -87.9 2.35 -9.49 2.54 0
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442375 135251684 1 O2C13H26 A2B13C26 -144.89 1.83 -9.66 1.75 0
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442376 135251696 1 O3N4C25H26 A3B4C25D26 -24.19 3.62 -8.77 -0.29 0
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442377 135251698 1 N4O4C27H32 A4B4C27D32 -115.92 4.55 -8.7 -0.19 0
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442378 135251710 1 SC20H22 AB20C22 12.44 1.15 -8.38 -0.34 0
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442379 135251726 1 NC21H25 AB21C25 14.89 2.15 -8.02 0.07 0
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442380 135251727 1 NC24H25 AB24C25 47.29 2.49 -8.07 -0.11 0
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442381 135251729 1 OC17H18 AB17C18 -16.78 1.59 -8.45 0.16 0
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442382 135251733 1 NOC15H15 ABC15D15 7.32 3.21 -8.96 -0.76 0
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442383 135251736 1 SN2C14H14 AB2C14D14 48.57 1.29 -8.69 -1.0 0
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442384 135251744 2 NH12C16 AB12C16 119.0 2.53 -7.89 -0.34 0
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442385 135251745 2 NH12C16 AB12C16 122.94 1.45 -7.89 -0.35 0
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442386 135251753 2 NH10C13 AB10C13 103.46 2.46 -7.9 -0.36 0
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442387 135251765 1 S2N3O8C51H61 A2B3C8D51E61 -241.36 13.87 -7.95 -1.87 1
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442388 135251766 1 OSN3C39H52 ABC3D39E52 5.99 3.58 0.0 0.0 0
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442389 135251768 1 ON2H14C19 AB2C14D19 44.67 3.07 -8.4 -1.3 0
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442391 135251789 1 N3C27H35 A3B27C35 117.77 2.57 -8.69 -0.42 0
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442392 135251797 1 FPSO6N7C22H23 ABCD6E7F22G23 -158.55 6.38 -8.75 -1.24 0
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442393 135251800 1 SN3C26H35 AB3C26D35 28.02 4.56 -7.58 -0.02 0
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442394 135251805 1 ClS2N3C27H30 AB2C3D27E30 65.12 2.97 -7.66 -0.22 0
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442395 135251809 1 S2N3C27H31 A2B3C27D31 76.82 2.36 -7.66 -0.37 0
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442396 135251815 1 FSN3C24H30 ABC3D24E30 -9.11 5.99 -7.59 -0.26 0
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442397 135251824 1 OSN3C26H35 ABC3D26E35 -6.92 5.69 -7.4 0.12 0
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442398 135251829 1 SF3N3C27H28 AB3C3D27E28 -88.16 2.81 -8.0 -0.74 0
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442399 135251837 1 SF3N3C28H30 AB3C3D28E30 -88.92 5.31 -7.92 -0.68 0
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442400 135251845 1 SCl2N3C25H25 AB2C3D25E25 57.54 5.23 -7.87 -0.47 0
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442401 135251858 1 OS2N3C27H31 AB2C3D27E31 38.22 3.17 -7.63 -0.21 0
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442402 135251859 1 SN3C24H31 AB3C24D31 40.39 6.04 -7.39 -0.03 0
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442403 135251862 1 ClSN3C26H34 ABC3D26E34 18.33 5.59 -7.69 -0.22 0
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442404 135251878 1 SO5N7C29H29 AB5C7D29E29 -40.51 6.8 -8.38 -1.17 0
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442405 135251887 1 ClFO2S2N4H18C22 ABC2D2E4F18G22 -37.18 9.41 -8.88 -1.68 0
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442406 135251889 1 ON7H25C32 AB7C25D32 186.66 5.92 -8.33 -1.78 0
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442407 135251890 1 SO3C7H10 AB3C7D10 -120.56 5.85 -9.74 -0.18 0
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442408 135251914 1 SF2N3O5C27H29 AB2C3D5E27F29 -246.18 3.27 -8.15 -0.81 0
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442409 135251916 1 F2S2N3O7H29C32 A2B2C3D7E29F32 -281.93 9.15 -8.3 -0.62 0
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442410 135251919 1 S2N4O5H26C30 A2B4C5D26E30 -74.91 13.89 -8.42 -0.61 0
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442411 135251921 1 SN3O5C24H31 AB3C5D24E31 -159.06 10.18 -7.97 -0.76 0
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442412 135251922 1 ClSF2N3O4H22C24 ABC2D3E4F22G24 -192.16 5.95 -8.4 -1.11 0