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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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57171 22395425 2 C10H17 A10B17 -51.55 0.72 -9.04 0.6 0
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57172 22395427 6 C4H7 A4B7 -63.1 0.14 -8.66 0.67 0
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57173 22395428 2 O3C14H17 A3B14C17 -222.79 4.47 -8.99 -0.45 0
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57174 22395429 2 O3C18H25 A3B18C25 -241.88 1.42 -9.07 -0.27 0
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57175 22395430 1 FO6C18H21 AB6C18D21 -274.82 1.47 -9.37 -0.53 0
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57176 22395431 1 F2O6C19H22 A2B6C19D22 -313.04 1.37 -9.29 -0.53 4
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57179 22395436 1 PtN2O4 AB2C4 87.65 2.76 -10.91 -3.55 4
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57181 22395438 1 SC3O4H8 AB3C4D8 -163.35 3.99 -10.74 -0.89 0
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57182 22395439 1 O6N7C14H29 A6B7C14D29 -280.79 11.52 -9.71 0.14 0
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57183 22395440 1 OH12C14 AB12C14 9.32 1.96 -8.75 0.1 -1
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57184 22395441 1 O3H7C9 A3B7C9 -65.61 3.54 0.0 0.0 0
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57185 22395442 1 ON2C19H20 AB2C19D20 31.29 5.0 -9.18 -0.44 0
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57186 22395443 1 ClNF3O4H9C14 ABC3D4E9F14 -176.51 2.4 -9.99 -1.49 0
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57187 22395446 1 NSF3O5H8C13 ABC3D5E8F13 -303.36 3.4 -9.54 -1.81 -1
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57188 22395448 1 NSO2C9H14 ABC2D9E14 -12.05 3.02 0.0 0.0 7
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57189 22395450 1 AuCrNiPd ABCD 399.83 7.77 0.0 0.0 -3
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57190 22395457 1 CoN2O8C10H19 AB2C8D10E19 -424.63 9.82 -10.67 -5.3 2
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57191 22395459 1 CaSO3C15H24 ABC3D15E24 -105.51 4.54 -4.99 -1.38 2
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57192 22395460 1 CaSO3C16H34 ABC3D16E34 -157.86 3.74 -4.99 -1.38 0
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57193 22395461 1 ArNe AB 0.04 0.0 -4.87 3.49 0
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57194 22395463 1 ON5C7H9 AB5C7D9 100.28 7.57 -7.81 -1.09 9
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57195 22395464 1 BiSnZn ABC -390.05 7.88 0.0 0.0 0
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57196 22395465 1 BrN3C13H14 AB3C13D14 27.1 3.97 -8.75 -0.28 1
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57197 22395466 1 N3O10C14H24 A3B10C14D24 -415.77 8.68 0.0 0.0 -1
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57198 22395468 1 SO3C22H31 AB3C22D31 -70.91 0.82 0.0 0.0 -1
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57199 22395469 1 O2C19H29 A2B19C29 -65.73 4.97 0.0 0.0 0
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57200 22395471 2 NSC2O3H7 ABC2D3E7 -273.4 1.6 -9.75 -0.04 0
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57201 22395473 1 CSN2O3H6 ABC2D3E6 -123.67 3.09 -10.15 -0.62 0
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57202 22395474 1 OBr2C3H6 AB2C3D6 -54.49 2.76 -10.46 -0.87 0
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57203 22395475 1 PN2C4O4H7 AB2C4D4E7 -168.31 3.97 -10.27 -1.09 0
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57204 22395476 1 NO4C17H23 AB4C17D23 -135.26 3.65 -9.29 -0.02 0
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57205 22395478 1 NO3C13H23 AB3C13D23 -143.37 2.73 -9.14 -0.28 0
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57206 22395479 1 NO4C11H19 AB4C11D19 -157.88 3.03 -9.53 -0.12 0
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57207 22395480 1 NO2C11H21 AB2C11D21 -95.92 1.29 -8.87 -0.33 0
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57208 22395481 1 O2N7H13C14 A2B7C13D14 113.59 3.46 -9.39 -1.31 0
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57209 22395482 1 NO4C12H23 AB4C12D23 -195.97 4.12 -9.75 -0.22 0
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57210 22395483 1 ON2C6H12 AB2C6D12 -31.94 2.06 -9.18 0.04 0
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57211 22395486 1 ON2C10H20 AB2C10D20 -48.56 3.48 -8.81 0.5 0
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57212 22395487 1 NOC6H13 ABC6D13 -34.2 2.53 -9.14 1.39 0
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57213 22395488 1 NOC8H17 ABC8D17 -48.31 1.42 -9.18 1.31 0
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57214 22395489 1 NO4C11H19 AB4C11D19 -158.63 1.39 -9.42 -0.46 0
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57215 22395492 1 N3Na5O10C14H28 A3B5C10D14E28 -808.32 1.54 -9.14 1.17 0
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57216 22395494 1 PO3C8H15 AB3C8D15 -188.23 2.05 -9.93 0.29 -3
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57217 22395495 1 O8H11C15 A8B11C15 -134.3 4.05 0.0 0.0 -2
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57218 22395496 2 O3C5H5 A3B5C5 -213.29 2.26 -10.8 -0.36 0
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57219 22395497 1 NPO4C12H22 ABC4D12E22 -237.83 1.72 -9.89 0.27 0
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57220 22395498 1 NPO4C10H20 ABC4D10E20 -253.81 3.38 -9.84 0.39 -2
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57221 22395500 2 O3H6C7 A3B6C7 -132.68 1.21 -9.87 -0.73 0
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57222 22395501 1 NP2O9C10H19 AB2C9D10E19 -512.11 8.51 -10.26 -0.37 0
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57223 22395503 1 SO5C8H10 AB5C8D10 -175.1 8.15 -9.07 -0.82 0