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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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408507 135081273 1 KC14H21 AB14C21 65.02 19.8 -4.82 -0.79 0
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408508 135081274 1 KC15H21 AB15C21 7.5 7.62 -6.79 0.78 0
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408509 135081275 1 FKH6C7 ABC6D7 -42.32 10.11 -6.21 -0.1 0
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408510 135081276 1 FKH6C7 ABC6D7 -36.35 9.79 -5.92 -0.09 0
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408511 135081277 1 KH3F4C7 AB3C4D7 -182.9 8.5 -7.29 -0.24 0
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408512 135081278 1 KH3F4C7 AB3C4D7 -203.99 6.29 -7.94 0.32 0
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408513 135081279 2 KC4H4 AB4C4 47.02 13.14 -5.07 -1.52 1
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408514 135081280 1 KOC13H19 ABC13D19 46.05 15.26 -4.47 -0.2 0
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408515 135081281 1 OC13H19 AB13C19 1.86 1.69 0.0 0.0 1
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408516 135081282 1 KSiC6H13 ABC6D13 -21.74 10.07 -5.89 0.2 1
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408517 135081283 1 KSiC10H21 ABC10D21 -43.0 9.9 -5.8 0.17 0
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408518 135081284 1 SiC10H21 AB10C21 -34.9 0.17 0.0 0.0 1
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408519 135081285 1 KSiC8H17 ABC8D17 -33.92 10.0 -5.78 0.17 0
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408520 135081286 1 SiC8H17 AB8C17 -24.69 0.28 0.0 0.0 1
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408521 135081287 1 KC7H13 AB7C13 48.94 22.29 -4.07 -0.94 1
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408522 135081288 1 KC5H7 AB5C7 36.88 9.58 -5.62 0.26 1
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408523 135081289 1 OSiK2C11H22 ABC2D11E22 -26.55 26.21 -5.21 -1.0 0
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408524 135081290 1 OSiC11H23 ABC11D23 -80.63 1.99 0.0 0.0 0
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408525 135081291 1 KSiBr2C12H17 ABC2D12E17 -1.44 9.35 -6.84 -0.29 0
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408526 135081292 1 KO2F3H8C9 AB2C3D8E9 -217.79 12.03 -7.68 0.38 0
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408527 135081293 1 KF3H4C7 AB3C4D7 -149.47 6.99 -7.4 0.38 0
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408528 135081294 1 FKH10C13 ABC10D13 -21.75 9.39 -6.47 -0.2 0
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408529 135081295 1 KF3H6C11 AB3C6D11 -121.1 9.89 -7.08 -0.18 1
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408530 135081296 1 KC6H11 AB6C11 11.42 9.34 -5.15 0.32 1
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408531 135081297 1 KC6H11 AB6C11 6.23 9.04 -5.34 0.32 1
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408532 135081298 1 NC2H2Se2 AB2C2D2 49.7 0.72 0.0 0.0 0
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408533 135081299 1 NOTeH4C6 ABCD4E6 49.97 4.09 0.0 0.0 0
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408534 135081300 1 SN4H8C13 AB4C8D13 122.5 0.79 -8.53 -1.55 0
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408535 135081301 1 NH13C16 AB13C16 115.52 2.11 -8.94 -0.45 0
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408536 135081302 1 NH13C16 AB13C16 93.2 2.3 -8.98 0.23 0
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408537 135081303 2 OC5H8 AB5C8 -96.82 2.41 -9.41 0.61 0
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408538 135081304 1 OSC27H28 ABC27D28 72.02 3.43 -7.46 -0.07 0
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408539 135081305 1 NiC7H10 AB7C10 130.29 1.55 -8.34 -0.17 0
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408541 135081307 1 N6H38C39 A6B38C39 171.38 6.07 -8.57 -0.92 0
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408543 135081309 1 CoSCl2N2C28H30 ABC2D2E28F30 128.63 23.78 0.0 0.0 0
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408544 135081310 1 SN2C28H30 AB2C28D30 72.08 2.19 -8.67 -0.95 0
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408546 135081312 1 FePCl2N2H29C34 ABC2D2E29F34 127.11 9.36 -7.15 -0.4 -1
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408548 135081314 1 NO3C8H8 AB3C8D8 -22.86 4.39 0.0 0.0 0
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408549 135081315 3 C5H6 A5B6 147.76 0.03 -10.3 1.8 0
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408550 135081316 1 NOP2C28H29 ABC2D28E29 24.74 3.38 -8.18 -0.06 -1
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408551 135081317 1 RhN2C29H39 AB2C29D39 45.38 16.92 -9.32 -3.43 0
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408553 135081319 4 C5H6 A5B6 63.32 0.09 -8.9 -0.18 -1
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408555 135081321 1 ZrCl2C40H40 AB2C40D40 214.28 16.32 -5.55 -2.56 0
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408556 135081322 40 CH AB 114.69 2.55 -8.49 -0.52 0
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408557 135081323 1 SiZrCl2H34C36 ABC2D34E36 86.29 5.1 -7.69 -2.01 0
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408558 135081324 1 SiH34C36 AB34C36 144.01 1.56 -6.65 -2.76 0
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408559 135081325 1 SiZrCl2C40H42 ABC2D40E42 190.21 4.05 -7.28 -1.07 0
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408560 135081326 1 SiC40H42 AB40C42 100.16 6.68 -7.23 -0.78 0
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408561 135081327 1 ZrCl2H38C39 AB2C38D39 501.17 15.32 -6.76 -1.6 0
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408562 135081328 1 H38C39 A38B39 162.16 0.97 -8.38 -0.78 0
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408563 135081329 1 ZrCl2C40H40 AB2C40D40 35.05 8.73 -6.36 -1.04 0
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408564 135081330 40 CH AB 188.93 1.08 -8.22 -0.48 0
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408565 135081331 1 ZrCl2C43H46 AB2C43D46 261.33 12.76 -7.64 -2.37 0
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408566 135081332 1 C43H46 A43B46 122.26 0.69 -8.35 -0.68 0
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408567 135081333 1 ZrCl2H32C36 AB2C32D36 40.4 3.82 -7.77 -1.77 0
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408569 135081336 1 ZrC32H52 AB32C52 36.24 4.73 -6.66 -1.33 0
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408570 135081337 1 SiZrCl2C24H26 ABC2D24E26 26.37 5.93 -6.92 -0.42 0
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408572 135081339 1 HfC22H36 AB22C36 274.16 9.08 -5.81 -3.17 0
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408573 135081340 1 SiZrCl2C30H38 ABC2D30E38 -18.16 11.82 -6.48 -2.73 0
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408574 135081341 1 SiC30H38 AB30C38 63.74 8.0 -6.39 -2.61 -2
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408575 135081342 1 HfC32H52 AB32C52 53.25 3.87 -5.94 -2.13 0
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408577 135081344 1 PtC11H16 AB11C16 134.5 1.22 -8.91 -1.27 0
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408578 135081345 1 H7C8 A7B8 71.64 1.17 0.0 0.0 0
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408579 135081346 1 SnC10H20 AB10C20 -2.6 0.03 -9.38 1.22 0
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408580 135081347 1 NO7C15H23 AB7C15D23 -283.01 6.0 -9.61 -1.09 0
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408584 135081351 1 ClNOPSC10H13 ABCDEF10G13 -98.71 5.98 -9.6 -0.4 0
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408585 135081352 1 LiN2O2C12H21 AB2C2D12E21 -89.8 5.65 -6.8 1.43 0
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408586 135081353 2 NOC6H11 ABC6D11 -68.9 2.69 -8.36 1.19 0
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408587 135081354 1 LiO4C12H13 AB4C12D13 -137.45 7.17 -7.24 1.15 0
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408588 135081355 1 N2C17H20 A2B17C20 36.56 1.48 -8.13 0.36 1
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408589 135081356 1 ON2C15H25 AB2C15D25 -10.63 1.9 0.0 0.0 0
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408590 135081357 1 O5C12H18 A5B12C18 -161.83 6.88 -10.38 -0.28 0
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408591 135081358 2 SN2C3O4H7 AB2C3D4E7 -166.86 13.64 -9.34 -1.46 0
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408592 135081359 1 ClNPS2O9C14H25 ABCD2E9F14G25 -280.79 12.61 -10.27 -2.54 0
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408593 135081360 1 ClPSN2O11C14H28 ABCD2E11F14G28 -367.57 12.09 -10.04 -2.58 0
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408594 135081361 1 OCl6H8C12 AB6C8D12 -0.32 4.11 -9.87 -0.72 0
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408595 135081362 1 BiO2Cl6H15C22 AB2C6D15E22 109.0 9.48 -8.36 -1.86 0
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408596 135081363 1 BiNS2F3O5H35C36 ABC2D3E5F35G36 -155.96 6.11 -8.95 -0.86 0
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408597 135081364 1 BiF2S2O6H15C18 AB2C2D6E15F18 -178.5 12.26 -10.06 -2.06 0
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408598 135081365 1 NPSbC6H6 ABCD6E6 66.76 2.62 0.0 0.0 0
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408599 135081366 1 AuFPC14H15 ABCD14E15 1.52 10.77 -8.62 -0.73 -4
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408601 135081368 1 AuClP2Si2C28H42 ABC2D2E28F42 -102.55 19.17 -5.88 -1.94 0
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408602 135081369 1 ClPSi2C10H28 ABC2D10E28 -214.22 8.52 -8.35 -0.26 0
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408603 135081370 2 AuPSO2C9H12 ABCD2E9F12 4.82 14.83 -5.92 -1.86 -1
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408604 135081371 1 PC9H12 AB9C12 60.47 3.93 0.0 0.0 0
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408605 135081372 1 AuPC14H20 ABC14D20 201.61 3.48 -8.17 -2.04 0
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408606 135081373 1 AuPH22C26 ABC22D26 247.54 12.84 -7.11 -1.46 0
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408607 135081374 1 AuPH22C28 ABC22D28 198.93 2.05 -8.58 -0.76 0
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408608 135081375 1 AuNOPH31C35 ABCDE31F35 137.32 4.92 -7.62 -0.91 0
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408609 135081376 1 NOC17H17 ABC17D17 17.22 3.35 -8.69 -0.79 0
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408613 135081380 1 AuClFePH23C28 ABCDE23F28 260.6 6.43 -7.49 -1.38 0
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408614 135081381 1 AsAuC14H20 ABC14D20 157.88 2.45 -8.81 -0.85 0
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408615 135081382 1 O6C9H16 A6B9C16 -261.48 2.44 -9.57 0.62 0
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408616 135081383 2 O3C5H9 A3B5C9 -271.18 3.22 -9.3 0.68 0
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408617 135081384 1 BSnC16H25 ABC16D25 76.31 2.84 -8.82 0.01 0
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408618 135081385 1 BSi3C21H39 AB3C21D39 -62.65 1.21 -8.53 0.13 0
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408619 135081386 1 BSnSi2C21H39 ABC2D21E39 -10.59 1.1 -8.64 0.17 0
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408620 135081388 1 O5C13H14 A5B13C14 -171.53 3.49 -9.1 -0.09 0
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408621 135081389 1 Cl2O4C27H28 A2B4C27D28 -77.78 3.49 -8.03 0.19 0
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408622 135081390 2 ClC9H15 AB9C15 -40.31 2.96 -9.21 0.62 0