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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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57095 22395330 1 N2O6H14C19 A2B6C14D19 -51.76 4.47 -8.49 -0.63 0
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57096 22395332 1 BrN3O5H22C24 AB3C5D22E24 -96.68 3.86 -8.38 -0.57 0
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57097 22395333 1 ON3C22H25 AB3C22D25 27.23 6.54 -8.41 -0.12 0
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57098 22395334 1 N3O3H29C32 A3B3C29D32 18.79 7.23 -8.52 -0.2 0
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57099 22395336 1 BrClN3O4H21C22 ABC3D4E21F22 -64.67 8.21 -8.44 -0.86 0
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57100 22395337 1 O2N3C18H19 A2B3C18D19 -9.39 2.03 -8.21 -0.14 0
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57101 22395338 1 BrN3O3H16C19 AB3C3D16E19 -9.51 8.5 -8.52 -0.34 0
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57102 22395339 1 BrN3O3H18C21 AB3C3D18E21 -12.48 8.15 -8.34 -0.38 0
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57103 22395340 1 O2N3C30H41 A2B3C30D41 -43.96 7.68 -8.42 -0.12 0
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57104 22395341 1 NOH9C11 ABC9D11 15.68 1.67 -8.1 0.03 0
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57105 22395343 1 N3O3H17C19 A3B3C17D19 -37.2 7.28 -8.48 -0.59 0
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57106 22395345 1 N2O5H24C26 A2B5C24D26 -75.3 5.49 -8.38 -0.89 0
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57107 22395346 1 BrON4H13C16 ABC4D13E16 62.45 8.52 -8.78 -0.51 0
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57108 22395348 1 O2N3C26H33 A2B3C26D33 -26.48 8.89 -8.41 -0.12 0
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57109 22395350 1 BrN2O4H17C19 AB2C4D17E19 -61.2 3.15 -8.44 -0.42 0
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57110 22395351 1 FO3N4H15C18 AB3C4D15E18 0.41 7.28 -8.71 -1.39 0
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57111 22395352 1 BrN4O4H25C27 AB4C4D25E27 -34.61 7.82 -8.47 -0.7 0
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57112 22395353 1 BrN4O4H19C22 AB4C4D19E22 -40.05 7.6 -8.49 -0.87 0
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57113 22395354 1 ClON4H17C21 ABC4D17E21 71.6 9.57 -8.59 -0.81 0
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57114 22395355 1 N3O4H19C21 A3B4C19D21 -57.18 4.44 -8.38 -0.47 0
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57115 22395356 1 ON4C19H20 AB4C19D20 48.95 5.39 -8.17 -0.11 0
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57116 22395357 1 N3O3H29C32 A3B3C29D32 30.81 6.27 -8.26 -0.2 0
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57117 22395359 1 F2O2N3H17C19 A2B2C3D17E19 -97.89 9.71 -8.6 -0.35 0
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57118 22395360 1 BrO3H7C8 AB3C7D8 -64.52 2.66 -8.66 -1.35 0
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57119 22395361 2 NO3C11H12 AB3C11D12 -179.85 4.72 -8.31 -0.03 0
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57120 22395362 1 NOC11H21 ABC11D21 -47.18 1.26 -9.08 1.27 0
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57121 22395363 1 FO2C14H17 AB2C14D17 -108.86 1.07 -9.76 -0.18 0
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57122 22395364 1 FO2C12H13 AB2C12D13 -123.24 1.07 -9.78 -0.2 0
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57123 22395365 1 NOC13H17 ABC13D17 -0.67 0.94 -9.18 0.36 0
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57124 22395366 1 FO3C14H15 AB3C14D15 -169.72 3.0 -9.9 -0.32 0
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57125 22395367 1 NOC10H17 ABC10D17 -26.62 1.17 -9.15 1.24 0
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57126 22395368 1 O3C8H10 A3B8C10 -126.3 3.48 -10.56 -0.39 0
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57127 22395369 1 NSO4C12H15 ABC4D12E15 -135.25 6.58 -9.53 -0.63 0
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57128 22395370 1 O3C12H20 A3B12C20 -169.8 4.48 -9.99 0.6 0
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57129 22395371 1 NO4C11H17 AB4C11D17 -193.32 4.01 -9.84 0.41 0
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57130 22395372 1 O5H10C12 A5B10C12 -147.92 6.02 -9.2 -0.85 0
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57131 22395373 1 FO6C14H19 AB6C14D19 -305.14 4.02 -9.86 -0.47 0
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57132 22395375 1 S3C8H18 A3B8C18 -31.12 2.95 -8.9 0.24 0
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57133 22395376 1 NO2P2H7 AB2C2D7 -127.81 1.29 -9.61 1.26 0
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57134 22395378 1 NO3C16H17 AB3C16D17 -98.28 3.68 -9.19 -0.76 -1
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57135 22395379 1 NO4C11H18 AB4C11D18 -98.25 1.61 0.0 0.0 0
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57136 22395381 1 NP2H5 AB2C5 -13.81 2.24 -8.91 1.65 -1
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57137 22395382 1 NO4C11H18 AB4C11D18 -178.05 2.79 0.0 0.0 0
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57138 22395384 1 NO4C18H25 AB4C18D25 -160.49 3.14 -9.48 0.22 0
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57139 22395386 2 NOC7H7 ABC7D7 68.1 2.97 -9.42 -0.42 0
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57140 22395387 2 NH4C8 AB4C8 124.76 7.17 -9.15 -2.01 0
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57141 22395389 2 O2C5H7 A2B5C7 -175.65 6.19 -10.7 -0.13 1
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57142 22395390 1 NaSO5C8H16 ABC5D8E16 -222.32 4.39 0.0 0.0 0
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57143 22395391 1 O3C9H14 A3B9C14 -66.51 3.16 -10.3 -0.55 0
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57144 22395392 1 O3C9H14 A3B9C14 -66.46 2.58 -10.26 -0.51 1
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57145 22395394 1 NaO2C6H12 AB2C6D12 -91.1 3.24 0.0 0.0 0
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57146 22395395 2 OC4H6 AB4C6 -74.08 2.68 -8.41 1.15 -1
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57147 22395396 1 O3C9H13 A3B9C13 -114.29 2.28 0.0 0.0 0
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57148 22395397 1 O3C9H14 A3B9C14 -137.73 6.35 -10.4 0.77 -1
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57149 22395398 1 KC2O3H4 AB2C3D4 -129.13 4.17 0.0 0.0 -1
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57151 22395400 1 KC3O5H6 AB3C5D6 -252.58 5.25 0.0 0.0 0
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57152 22395401 1 NO3C5H7 AB3C5D7 -119.65 1.76 -10.25 -0.62 0
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57153 22395402 1 N2O3C7H12 A2B3C7D12 -40.81 3.0 -9.62 0.12 0
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57154 22395403 1 NSO4H17C18 ABC4D17E18 -107.68 4.93 -8.9 -0.52 0
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57155 22395404 1 NO5H23C25 AB5C23D25 -132.02 5.68 -9.12 -0.48 0
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57156 22395405 1 NSO2C9H11 ABC2D9E11 -67.55 2.21 -9.38 -0.62 0
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57157 22395406 1 ClO2C8H9 AB2C8D9 -74.79 4.34 -9.85 -0.62 0
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57158 22395408 1 ClNOC2H4 ABCD2E4 -36.03 1.42 -9.98 -0.71 0
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57159 22395409 1 BrNOC2H4 ABCD2E4 -35.52 2.21 -9.78 -1.0 0
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57160 22395411 1 Rh2F3P3O6 A2B3C3D6 -512.89 11.99 -9.66 -5.75 0
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57161 22395413 2 O3C14H17 A3B14C17 -231.29 3.07 -9.1 -0.3 0
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57162 22395414 2 O3C16H21 A3B16C21 -230.08 3.64 -9.07 -0.3 0
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57163 22395415 2 O3C20H29 A3B20C29 -269.48 0.45 -9.01 -0.32 0
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57164 22395416 1 O6C15H16 A6B15C16 -245.29 2.26 -8.99 -0.33 0
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57165 22395418 2 O3C16H21 A3B16C21 -232.75 1.56 -9.02 -0.24 0
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57166 22395419 2 O3C20H29 A3B20C29 -255.53 2.33 -8.91 -0.24 0
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57167 22395421 2 O3C14H17 A3B14C17 -221.43 4.05 -9.07 -0.22 0
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57168 22395422 2 O3C12H13 A3B12C13 -222.38 3.64 -9.01 -0.52 0
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57169 22395423 6 C3H5 A3B5 -42.06 0.22 -8.89 0.58 0
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57170 22395424 2 O3C18H25 A3B18C25 -248.74 1.59 -8.86 -0.21 0