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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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238721 92765196 1 N3O3C29H31 A3B3C29D31 -21.64 4.46 -8.11 -0.53 0
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238722 92765204 1 ClO2N3C28H28 AB2C3D28E28 8.95 6.53 -8.3 -0.7 0
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238723 92765205 1 ClO2N3C28H28 AB2C3D28E28 11.94 5.12 -8.47 -0.58 0
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238724 92765212 2 ON2C13H13 AB2C13D13 33.82 5.67 -8.32 -0.63 0
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238725 92765276 1 N3O11C15H23 A3B11C15D23 -478.91 3.03 -10.29 -0.38 0
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238726 92765290 1 SO2N4C29H30 AB2C4D29E30 2.98 5.13 -8.6 -0.72 0
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238727 92765291 2 N2O2C7H10 A2B2C7D10 -172.4 4.49 -9.71 -0.43 0
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238728 92765295 1 N3O4C18H27 A3B4C18D27 -149.66 4.73 -8.74 0.0 0
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238729 92765298 1 O2N3C18H29 A2B3C18D29 -93.99 5.18 -8.72 0.27 0
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238730 92765299 1 O2N3C18H29 A2B3C18D29 -93.77 5.21 -8.78 0.25 0
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238731 92765304 1 ON3C17H27 AB3C17D27 -38.54 4.11 -8.44 0.17 0
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238732 92765315 1 O3N4C11H22 A3B4C11D22 -144.43 2.29 -8.91 0.12 0
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238733 92765317 1 O3N4C16H30 A3B4C16D30 -167.25 1.08 -8.98 0.21 0
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238734 92765318 1 O3N4C16H30 A3B4C16D30 -168.26 0.91 -8.98 0.19 0
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238735 92765319 1 O3N4C16H30 A3B4C16D30 -166.85 0.96 -8.98 0.18 0
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238736 92765320 1 O2N3C20H27 A2B3C20D27 -59.66 4.29 -8.75 -0.6 0
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238737 92765324 1 SN2C14H20 AB2C14D20 25.97 4.03 -8.04 0.34 0
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238738 92765325 1 N3O3C27H41 A3B3C27D41 -136.24 2.19 -8.31 0.07 0
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238739 92765328 1 O2N3C24H31 A2B3C24D31 -40.55 3.47 -8.64 0.28 0
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238740 92765329 1 N3O3C28H31 A3B3C28D31 -33.11 3.63 -8.65 -0.2 0
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238741 92765352 1 N4O4C33H40 A4B4C33D40 -95.25 5.57 -8.27 -0.45 0
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238742 92765354 1 SO3N5C31H41 AB3C5D31E41 -61.0 1.84 -8.33 -0.89 0
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238743 92765355 1 SO3N5C30H41 AB3C5D30E41 -81.09 0.95 -8.27 -0.82 0
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238744 92765374 2 NOC7H11 ABC7D11 -83.65 5.54 -8.96 0.1 0
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238745 92765375 1 N3O3C19H21 A3B3C19D21 -50.52 4.12 -8.54 -0.58 0
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238746 93165412 1 N2O3C17H22 A2B3C17D22 -117.25 6.14 -8.92 0.24 0
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238747 93165413 1 ON4C17H26 AB4C17D26 -16.37 1.4 -9.08 -0.35 0
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238748 93165414 1 ON4C17H26 AB4C17D26 -14.64 1.44 -9.08 -0.35 0
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238749 93165415 1 ON4C17H26 AB4C17D26 -15.22 5.55 -8.8 -0.37 0
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238750 93165416 1 ON4C17H26 AB4C17D26 -17.41 5.58 -9.12 -0.22 0
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238751 93165417 1 ON4C17H26 AB4C17D26 -16.24 2.52 -9.14 -0.28 0
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238752 93165418 1 ON4C17H26 AB4C17D26 -14.5 2.54 -9.14 -0.28 0
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238753 93165420 1 ON4C17H26 AB4C17D26 -18.09 4.95 -9.15 -0.13 0
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238754 93165421 1 ON4C17H26 AB4C17D26 -13.68 3.53 -8.85 -0.38 0
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238755 93165422 1 ON4C17H26 AB4C17D26 -11.95 3.53 -8.82 -0.38 0
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238756 93165423 1 ON4C17H26 AB4C17D26 -17.5 3.01 -8.77 -0.29 0
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238757 93165424 1 ON4C17H26 AB4C17D26 -17.96 2.7 -8.74 -0.26 0
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238758 93165426 1 SN2O3C14H26 AB2C3D14E26 -159.29 4.05 -9.12 0.28 0
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238759 93165429 1 SN2O3C14H26 AB2C3D14E26 -162.58 5.31 -8.68 0.5 0
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238760 93165453 1 N2O3C17H24 A2B3C17D24 -130.73 5.33 -9.02 0.19 0
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238761 93165456 2 NOC9H14 ABC9D14 -59.85 2.07 -8.22 0.37 0
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238762 93165458 1 ON4C17H28 AB4C17D28 -32.1 3.57 -8.84 0.76 0
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238763 93165460 1 ON4C17H28 AB4C17D28 -30.99 2.05 -8.64 0.8 0
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238764 93165461 1 ON4C17H28 AB4C17D28 -32.93 1.91 -8.72 0.7 0
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238765 93165462 1 ON4C17H28 AB4C17D28 -30.23 4.04 -8.77 0.77 0
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238766 93165463 1 ON4C17H28 AB4C17D28 -28.56 4.0 -8.75 0.76 0
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238767 93165465 1 ON2C19H32 AB2C19D32 -57.6 3.58 -8.55 0.26 0
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238768 93165466 1 ON2C19H32 AB2C19D32 -55.42 2.18 -8.41 0.31 0
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238769 93165469 1 ON2C19H32 AB2C19D32 -58.31 3.36 -8.44 0.27 0
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238770 93165470 1 ON2C19H32 AB2C19D32 -52.0 2.67 -8.22 0.23 0