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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402344 135055592 1 NO4C13H21 AB4C13D21 -206.65 4.36 -9.07 -0.14 0
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402345 135055598 1 NO3H15C18 AB3C15D18 -68.49 4.05 -8.94 -0.94 0
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402346 135055599 1 O3C21H26 A3B21C26 -82.83 6.3 -8.95 0.05 0
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402347 135055619 2 O2C11H12 A2B11C12 -108.3 1.95 -9.37 -0.7 0
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402348 135055628 1 SN2O4C16H20 AB2C4D16E20 -127.77 4.6 -8.93 -0.55 0
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402349 135055630 1 FN2O4C14H19 AB2C4D14E19 -154.24 4.77 -10.03 -0.57 0
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402350 135055634 1 O3C19H24 A3B19C24 -131.27 4.43 -8.75 -0.08 0
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402351 135055657 1 NOC15H17 ABC15D17 -22.47 5.68 -9.21 -0.01 0
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402352 135055658 1 NO2C16H19 AB2C16D19 -63.52 6.5 -9.04 -0.02 0
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402353 135055659 1 N2S2O4C25H28 A2B2C4D25E28 -37.35 7.73 -9.31 -0.5 0
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402354 135055662 1 NSO6C21H25 ABC6D21E25 -221.66 7.7 -9.05 -0.43 0
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402355 135055663 1 O8C19H24 A8B19C24 -341.36 3.09 -8.91 -0.05 0
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402356 135055665 1 O8C29H44 A8B29C44 -393.68 6.19 -9.74 -0.7 0
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402357 135055666 2 O4C15H23 A4B15C23 -400.6 4.64 -9.74 -0.65 0
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402358 135055667 1 O8C31H48 A8B31C48 -397.44 3.41 -9.75 -0.74 0
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402359 135055669 1 NO5C18H19 AB5C18D19 -171.06 4.21 -9.52 -0.56 0
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402360 135055670 1 BrNOC15H18 ABCD15E18 -28.28 3.72 -8.45 0.01 0
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402361 135055672 1 NO3H15C16 AB3C15D16 -73.81 5.95 -9.26 -1.53 0
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402362 135055678 1 ClN2O5C32H43 AB2C5D32E43 -222.4 4.63 -9.8 -0.96 0
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402363 135055680 1 N2O5C33H46 A2B5C33D46 -223.37 5.56 -9.74 -0.61 0
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402364 135055681 1 BrNO2H18C22 ABC2D18E22 -5.93 6.64 -9.37 -0.65 0
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402365 135055682 1 FN2O3H21C24 AB2C3D21E24 -85.12 5.39 -9.71 -0.6 0
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402366 135055683 1 NO4C23H27 AB4C23D27 -143.3 3.12 -8.8 0.1 0
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402367 135055684 1 NO4C23H27 AB4C23D27 -142.47 2.5 -8.7 -0.02 -1
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402368 135055686 1 CrO6C23H31 AB6C23D31 -144.6 2.74 0.0 0.0 0
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402369 135055689 2 O2C9H10 A2B9C10 -124.33 2.83 -9.59 0.17 0
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402370 135055705 1 NC16H19 AB16C19 44.11 2.7 -7.87 0.31 0
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402371 135055706 1 NO4C26H27 AB4C26D27 -119.19 3.48 -9.1 -0.08 0
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402372 135055709 1 SO3F6H16C23 AB3C6D16E23 -362.21 4.82 -9.77 -1.02 0
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402373 135055725 1 ClON2F3C13H14 ABC2D3E13F14 -182.9 5.2 -9.28 -0.63 0
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402374 135055726 1 ON2F3C17H17 AB2C3D17E17 -157.39 5.33 -9.1 -0.72 0
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402375 135055728 1 NO5C26H29 AB5C26D29 -175.19 6.05 -8.03 -0.56 0
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402376 135055737 1 N2P2F6O6H20C23 A2B2C6D6E20F23 -519.13 8.87 -9.97 -1.44 0
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402377 135055745 1 N3O9C11H17 A3B9C11D17 -340.31 2.41 -10.32 -0.34 0
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402378 135055758 1 F3H13C16 A3B13C16 -102.27 3.74 -9.64 -0.53 0
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402379 135055763 1 C13H28 A13B28 -71.02 0.08 -10.67 3.99 0
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402380 135055769 1 BrNO3H14C18 ABC3D14E18 -60.0 5.55 -9.44 -1.63 0
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402381 135055776 1 NO4C18H25 AB4C18D25 -180.54 2.53 -9.46 -0.28 0
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402382 135055780 1 N3O4C10H13 A3B4C10D13 -67.67 3.27 -10.06 -1.64 0
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402383 135055782 1 N2O5H20C21 A2B5C20D21 -141.88 3.01 -9.09 -1.5 0
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402384 135055784 1 NO3C19H19 AB3C19D19 -70.28 2.77 -8.48 -0.03 0
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402385 135055786 1 N3O5C21H27 A3B5C21D27 -123.19 9.34 -9.04 -0.87 0
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402386 135055788 1 OC22H22 AB22C22 21.13 2.01 -9.24 0.15 0
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402387 135055791 2 NO2C8H12 AB2C8D12 -124.13 2.98 -9.56 -0.44 0
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402388 135055792 1 SN2F3O6C19H19 AB2C3D6E19F19 -376.55 9.43 -9.14 -1.08 0
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402389 135055794 1 O3C22H26 A3B22C26 -77.49 4.79 -10.01 -0.66 0
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402390 135055795 1 O5C17H24 A5B17C24 -207.44 3.13 -9.71 0.18 0
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402391 135055820 1 NSO2C24H27 ABC2D24E27 -44.03 5.12 -9.02 -0.31 0
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402392 135055823 1 NSiO2C16H29 ABC2D16E29 -157.9 7.28 -8.72 0.15 0
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402393 135055824 1 NSO2C24H27 ABC2D24E27 -41.25 5.04 -8.9 -0.35 0
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402394 135055825 1 NSO3C20H21 ABC3D20E21 -46.09 7.91 -8.47 -0.6 0
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402395 135055827 1 NO3C20H21 AB3C20D21 -74.01 6.25 -9.22 -1.5 0
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402396 135055833 1 OSi2C20H30 AB2C20D30 -54.07 1.06 -8.32 0.09 0
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402397 135055836 1 FNO2H18C22 ABC2D18E22 -52.4 5.86 -9.76 -0.58 0
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402398 135055846 1 O5C17H24 A5B17C24 -199.04 3.97 -9.48 0.43 0
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402399 135055848 1 N3O6C21H31 A3B6C21D31 -242.84 8.09 -9.28 -0.58 0
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402400 135055849 1 N2O5C13H24 A2B5C13D24 -235.2 1.63 -9.32 -0.26 0
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402401 135055850 1 SiO3C27H36 AB3C27D36 -128.38 1.91 -9.13 -0.03 0
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402402 135055852 1 NO4C13H15 AB4C13D15 -59.65 2.26 -9.65 -0.66 0
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402403 135055855 1 NSO3C25H27 ABC3D25E27 -35.93 6.3 -9.09 -0.29 0
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402404 135055858 1 O3C18H20 A3B18C20 -68.5 3.02 -8.81 -0.08 0
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402405 135055859 2 O2C9H11 A2B9C11 -138.59 6.53 -8.79 0.33 0
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402406 135055860 1 O2N3C25H31 A2B3C25D31 45.08 1.5 -8.6 -0.13 0
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402407 135055861 1 FON3C24H28 ABC3D24E28 39.8 2.48 -8.89 -0.12 0
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402408 135055862 1 FON3C24H28 ABC3D24E28 36.59 2.04 -8.91 -0.15 0
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402409 135055864 1 NO4C19H29 AB4C19D29 -199.14 0.99 -9.21 0.17 0
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402410 135055865 2 OC8H8 AB8C8 -33.28 1.18 -9.08 -0.63 0
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402411 135055866 1 BrOH13C15 ABC13D15 8.83 2.41 -9.62 -0.92 0
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402412 135055874 1 FOSiC12H23 ABCD12E23 -151.39 4.5 -9.06 0.78 0
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402413 135055885 1 BrNO3C18H20 ABC3D18E20 -86.89 0.72 -8.24 -0.54 0
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402414 135055889 1 O3C15H22 A3B15C22 -130.78 5.48 -8.74 0.26 0
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402415 135055894 1 ClFO2H10C11 ABC2D10E11 -105.31 3.77 -9.77 -0.57 0
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402416 135055901 1 IN2O7H17C20 AB2C7D17E20 -109.84 9.14 -9.24 -1.42 0
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402417 135055902 1 N2F3O7H17C21 A2B3C7D17E21 -288.48 6.82 -9.29 -1.52 0
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402418 135055903 2 NO2C9H14 AB2C9D14 -132.0 6.15 -9.41 -0.37 0
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402419 135055906 1 NO3C15H23 AB3C15D23 -156.39 2.8 -9.42 0.03 0
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402420 135055908 1 SN2O6C29H40 AB2C6D29E40 -193.85 4.81 -8.49 -0.71 0
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402421 135055910 2 NO3C16H20 AB3C16D20 -175.33 3.77 -9.05 -0.7 0
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402422 135055911 1 ClN2O6C29H39 AB2C6D29E39 -203.85 3.67 -9.57 -0.75 0
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402423 135055912 1 NCl3O4C17H18 AB3C4D17E18 -178.17 1.18 -8.81 -0.71 0
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402424 135055914 2 OC8H8 AB8C8 -50.3 2.71 -9.26 -0.05 0
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402425 135055916 1 NO3C20H29 AB3C20D29 -123.26 0.97 -7.92 -0.17 0
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402426 135055920 1 SN2O6C14H18 AB2C6D14E18 -166.33 3.8 -10.14 -2.0 0
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402427 135055921 2 NSO2H10C11 ABC2D10E11 -86.07 8.48 -8.51 -0.63 0
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402428 135055930 1 Cl2O3C8H10 A2B3C8D10 -134.03 2.01 -10.3 -1.01 0
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402429 135055932 1 Cl2O2H12C13 A2B2C12D13 -72.72 2.52 -9.87 -0.67 0
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402430 135055933 1 NOCl2C14H15 ABC2D14E15 -39.84 1.18 -9.55 -0.47 0
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402431 135055934 1 SiO3C20H30 AB3C20D30 -156.27 2.6 -8.75 -0.7 0
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402432 135055935 1 O3C15H20 A3B15C20 -104.24 2.09 -9.42 0.29 0
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402433 135055941 1 ClO3C14H17 AB3C14D17 -118.3 2.31 -9.58 -0.46 0
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402434 135055944 1 ClN2O3C20H21 AB2C3D20E21 -82.33 5.17 -8.91 -0.38 0
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402435 135055950 1 N3O5C22H29 A3B5C22D29 -126.85 9.65 -8.83 -0.71 0
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402436 135055951 1 NSO3C20H29 ABC3D20E29 -124.25 6.06 -9.19 -0.24 0
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402437 135055952 1 NSO3C16H23 ABC3D16E23 -86.54 6.17 -8.88 -0.29 0
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402438 135055961 1 N2O4C21H26 A2B4C21D26 -92.42 5.74 -9.44 -0.23 0
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402439 135055962 1 N2O4C15H22 A2B4C15D22 -118.97 6.23 -9.57 -0.3 0
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402440 135055963 1 IO2C14H17 AB2C14D17 -68.9 5.96 -9.45 -0.92 0
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402441 135055964 1 NF4O5C24H25 AB4C5D24E25 -395.62 6.61 -10.17 -0.72 0
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402442 135055977 3 OC4H6 AB4C6 -148.14 4.2 -10.07 -0.25 0
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402443 135055978 1 NO5H15C18 AB5C15D18 -55.99 5.02 -8.87 -0.75 -1