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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407462 135080178 1 OC13H20 AB13C20 -23.32 1.04 -8.46 0.7 1
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407463 135080179 1 FN2H8C9 AB2C8D9 36.42 2.11 0.0 0.0 0
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407465 135080181 1 NOF2C6H11 ABC2D6E11 -146.19 0.56 -9.56 2.04 0
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407466 135080182 1 ON2C13H14 AB2C13D14 17.94 2.26 -9.79 -0.82 0
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407467 135080183 1 O2H12C13 A2B12C13 -29.38 1.89 -9.73 -1.0 0
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407468 135080184 1 Cl2N2C13H14 A2B2C13D14 29.45 2.26 -9.23 -0.98 0
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407469 135080185 1 O4C9H14 A4B9C14 -160.54 1.01 -10.14 0.02 0
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407470 135080186 1 O4C7H14 A4B7C14 -199.55 0.85 -10.55 0.61 0
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407471 135080187 1 OC8H12 AB8C12 9.6 1.79 -8.9 0.71 0
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407472 135080188 2 OC7H9 AB7C9 -57.17 2.0 -9.4 -0.2 0
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407473 135080189 1 ClNOC12H14 ABCD12E14 -34.52 3.87 -9.24 -0.41 0
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407474 135080212 1 O2C15H22 A2B15C22 -76.6 6.46 -9.42 -1.53 0
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407475 135080213 2 OC7H8 AB7C8 -65.22 4.5 -9.77 -0.61 0
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407476 135080219 1 SSiC15H22 ABC15D22 14.86 1.68 -8.24 0.26 0
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407477 135080220 1 OTeH12C13 ABC12D13 58.0 3.02 -8.04 -0.36 0
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407478 135080221 2 N2H4C7 A2B4C7 128.8 5.51 -9.15 -1.14 0
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407479 135080222 1 IOSC14H15 ABCD14E15 9.95 2.0 -8.92 -1.11 0
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407480 135080223 2 O2C6H11 A2B6C11 -197.0 4.05 -10.34 0.42 0
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407481 135080226 1 Li2N2O2C11H14 A2B2C2D11E14 -113.03 4.71 -6.7 0.72 0
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407482 135080227 1 Li2N2O2C11H14 A2B2C2D11E14 -100.67 13.51 -6.52 0.86 0
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407483 135080228 1 O5C9H14 A5B9C14 -210.48 3.5 -10.75 0.19 0
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407484 135080229 1 NO2Si3C10H27 AB2C3D10E27 -284.23 2.26 -8.87 0.77 0
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407485 135080230 1 BO3C13H25 AB3C13D25 -252.45 4.38 -9.71 1.42 0
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407486 135080231 1 BrO2C13H15 AB2C13D15 -68.7 4.63 -9.9 -0.69 0
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407487 135080232 1 BrOC16H17 ABC16D17 0.18 4.07 -9.62 -0.48 0
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407488 135080233 1 N4H8C13 A4B8C13 156.04 4.5 -9.32 -1.33 0
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407489 135080234 1 ClO2N3C10H10 AB2C3D10E10 -53.56 1.49 -8.52 -1.01 0
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407490 135080235 1 OSiC13H18 ABC13D18 -46.61 3.23 -9.14 -0.15 0
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407491 135080236 2 ClOC5H5 ABC5D5 -76.57 0.55 -8.8 -0.14 0
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407492 135080237 1 N2Si2C9H18 A2B2C9D18 -32.6 4.8 -9.82 0.58 0
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407493 135080238 1 FC13H17 AB13C17 -26.67 2.0 -9.32 0.41 0
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407494 135080239 1 NSO4C7H17 ABC4D7E17 -201.24 11.12 -10.49 0.64 0
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407495 135080240 1 BrClO2C8H14 ABC2D8E14 -132.01 1.48 -10.34 -0.71 0
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407496 135080241 1 BrClOC9H10 ABCD9E10 -38.97 2.38 -9.87 -0.38 0
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407497 135080242 1 N2C13H22 A2B13C22 15.51 2.62 -8.82 0.15 0
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407498 135080243 2 NC7H12 AB7C12 -14.47 1.85 -8.44 1.33 0
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407499 135080244 1 BNOF3C7H17 ABCD3E7F17 -382.75 8.49 -10.99 0.94 -1
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407500 135080245 1 BNOF3C7H16 ABCD3E7F16 -342.92 8.51 0.0 0.0 0
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407501 135080246 1 NO2H11C12 AB2C11D12 -28.16 4.91 -8.95 -1.02 0
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407502 135080247 1 NOC15H21 ABC15D21 -50.84 3.9 -9.6 -0.2 0
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407503 135080248 1 NO4C8H9 AB4C8D9 -75.15 3.0 -10.21 -0.95 0
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407504 135080249 1 NO3C9H17 AB3C9D17 -122.44 2.28 -9.33 0.3 0
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407505 135080250 1 BrO2C14H17 AB2C14D17 -85.44 3.03 -9.71 -0.37 1
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407506 135080251 1 N2O2C11H11 A2B2C11D11 0.84 3.79 0.0 0.0 0
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407507 135080252 1 NSO2C11H19 ABC2D11E19 -75.54 3.37 -8.54 0.11 0
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407508 135080253 1 NO2C9H11 AB2C9D11 -28.76 5.12 -9.12 0.06 0
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407509 135080254 1 INC14H16 ABC14D16 44.12 2.07 -9.1 -0.92 0
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407510 135080255 1 NPO5C9H20 ABC5D9E20 -306.63 3.13 -9.7 0.62 0
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407511 135080256 1 PO5C8H11 AB5C8D11 -247.98 5.56 -9.16 -0.26 0
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407512 135080257 1 SO2N3H9C10 AB2C3D9E10 62.71 5.97 -8.83 -0.9 0
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407513 135080258 1 N2H12C13 A2B12C13 65.33 4.25 -8.73 0.21 0
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407514 135080259 1 SN2O2C10H16 AB2C2D10E16 -22.43 9.32 -7.84 0.15 0
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407515 135080260 1 ClN2H11C14 AB2C11D14 64.01 3.34 -8.58 -0.7 0
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407516 135080261 3 C5H6 A5B6 108.1 0.47 -8.91 0.03 0
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407518 135080263 1 BrC12H23 AB12C23 -35.63 1.86 -10.1 -0.03 0
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407519 135080265 1 SiN2C12H14 AB2C12D14 41.27 6.71 -9.87 -0.38 0
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407520 135080266 1 FO3C14H15 AB3C14D15 -158.9 8.66 -9.29 -0.9 0
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407521 135080267 1 NO4C11H17 AB4C11D17 -136.84 3.96 -9.33 0.62 1
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407522 135080268 1 N3C8H8 A3B8C8 73.5 3.93 0.0 0.0 0
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407523 135080269 1 ClSN2H9C10 ABC2D9E10 64.83 3.91 -8.98 -0.36 1
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407524 135080270 1 OSN2C10H11 ABC2D10E11 27.65 3.0 0.0 0.0 1
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407525 135080271 1 NC10H14 AB10C14 20.81 2.51 0.0 0.0 0
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407526 135080272 1 NOC15H17 ABC15D17 21.62 4.14 -8.8 -0.05 0
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407527 135080273 1 NO2H11C13 AB2C11D13 -26.61 6.64 -8.39 -1.29 0
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407528 135080274 1 OS2H10C13 AB2C10D13 56.71 3.42 -8.69 -0.49 0
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407529 135080276 1 OSH12C14 ABC12D14 21.09 1.22 -8.48 -0.46 0
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407530 135080277 1 SN2C15H16 AB2C15D16 43.68 1.51 -8.36 -0.59 0
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407531 135080278 1 SN2H10C12 AB2C10D12 60.21 7.49 -8.08 -0.74 0
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407532 135080279 1 NSC11H13 ABC11D13 35.69 3.95 -9.45 -0.67 0
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407533 135080280 1 PO4C11H23 AB4C11D23 -270.25 3.28 -9.9 1.06 0
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407534 135080281 1 OC14H28 AB14C28 -89.86 2.16 -10.07 1.31 0
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407535 135080282 1 O3C14H22 A3B14C22 -112.79 2.8 -10.07 0.58 0
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407536 135080283 1 OS2C8H16 AB2C8D16 -48.57 4.71 -8.22 0.49 0
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407537 135080284 1 N2H14C15 A2B14C15 61.2 1.96 -8.7 -0.27 0
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407539 135080286 1 BO3C13H25 AB3C13D25 -248.18 5.11 -9.79 0.99 0
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407540 135080287 1 OC9H12 AB9C12 3.2 1.93 -8.6 1.17 0
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407541 135080288 1 N2H12C13 A2B12C13 98.58 2.44 -9.22 -0.26 0
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407542 135080289 2 O2C4H5 A2B4C5 -155.74 5.92 -10.16 -0.08 0
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407543 135080290 1 NF3O3H8C10 AB3C3D8E10 -158.33 3.45 -10.24 -1.7 0
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407544 135080291 1 N4H8C9 A4B8C9 83.51 8.07 -8.84 -0.65 0
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407545 135080292 1 FC9H11 AB9C11 -40.22 1.65 -9.53 0.23 0
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407546 135080293 1 SO5C9H14 AB5C9D14 -185.81 2.56 -10.55 -0.01 0
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407547 135080294 1 FNO2C7H8 ABC2D7E8 -88.5 3.68 -11.46 -0.3 0
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407548 135080295 1 FOC14H21 ABC14D21 -112.83 2.17 -9.04 0.46 0
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407549 135080296 1 ClO2C12H19 AB2C12D19 -120.88 2.08 -10.31 -0.05 0
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407550 135080297 1 ClNO2F3H7C9 ABC2D3E7F9 -164.21 5.74 -10.81 -1.66 0
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407551 135080298 1 O3N5C9H15 A3B5C9D15 -39.75 4.69 -8.72 -0.82 0
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407552 135080299 2 NOH6C7 ABC6D7 23.68 2.97 -8.4 -0.45 0
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407553 135080300 1 O3C12H14 A3B12C14 -117.34 4.34 -10.29 -0.92 0
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407554 135080301 1 NO3H11C12 AB3C11D12 -88.24 4.84 -9.67 -1.53 0
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407555 135080302 1 ClO2C11H13 AB2C11D13 -63.34 4.22 -8.83 -0.24 0
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407556 135080303 2 C5H8 A5B8 -1.33 0.49 -8.95 1.11 0
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407557 135080304 1 BrF3C10H12 AB3C10D12 -144.94 4.45 -10.3 -1.02 1
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407558 135080305 1 NO2C8H18 AB2C8D18 -103.3 3.05 0.0 0.0 0
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407559 135080306 1 PO4C6H15 AB4C6D15 -254.77 4.27 -10.35 1.25 -1
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407561 135080308 2 OC6H9 AB6C9 -72.4 2.27 -9.3 0.16 0
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407562 135080309 1 C13H18 A13B18 9.89 0.93 -8.94 0.15 0
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407563 135080310 1 FNOC12H12 ABCD12E12 -77.95 6.1 -8.94 -0.13 0
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407564 135080311 1 SN2O2C11H18 AB2C2D11E18 -35.38 7.38 -7.97 0.11 0
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407565 135080312 1 N2O3C12H14 A2B3C12D14 -82.91 11.44 -8.28 -1.14 0