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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381453 134972198 2 NC8H10 AB8C10 79.6 1.4 -8.71 -0.18 0
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381454 134972199 1 NSiO4C23H31 ABC4D23E31 -136.6 2.26 -9.24 -0.13 0
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381455 134972202 1 O5C26H34 A5B26C34 -174.96 4.14 -9.65 0.03 0
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381456 134972203 1 O5C26H32 A5B26C32 -165.44 3.61 -9.31 -0.08 0
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381457 134972204 2 O3C18H20 A3B18C20 -166.2 2.07 -9.31 0.25 0
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381458 134972205 1 IN2O2C12H13 AB2C2D12E13 -2.07 4.63 -9.07 -1.36 0
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381459 134972207 1 NSO6C13H19 ABC6D13E19 -251.39 3.61 -9.77 -0.62 0
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381460 134972209 1 OSiF2C8H16 ABC2D8E16 -201.61 1.84 -9.92 0.98 0
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381461 134972212 1 F2N2O3H14C15 A2B2C3D14E15 -144.12 4.33 -9.62 -0.89 -1
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381462 134972213 1 YO5C21H25 AB5C21D25 -163.39 4.1 -4.98 -0.97 0
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381463 134972214 1 O5C21H26 A5B21C26 -135.57 1.92 -7.95 -0.35 0
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381464 134972215 2 OC5H6 AB5C6 -11.1 5.01 -10.17 0.43 0
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381465 134972216 1 O10H24C27 A10B24C27 -344.82 7.96 -8.96 -1.42 0
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381466 134972217 1 BrN3O6C26H26 AB3C6D26E26 -210.86 6.93 -8.96 -0.67 0
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381467 134972218 1 BrN2O5H19C22 AB2C5D19E22 -139.34 2.25 -9.24 -1.38 1
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381468 134972219 1 N2O4C15H27 A2B4C15D27 -113.36 5.54 0.0 0.0 0
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381469 134972220 1 N2O4C15H26 A2B4C15D26 -153.31 7.65 -10.76 -0.41 0
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381471 134972222 1 N2O4C11H14 A2B4C11D14 -70.73 6.35 -8.97 -1.7 0
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381472 134972223 1 S2N4O5C23H34 A2B4C5D23E34 -209.68 9.02 -8.44 -0.48 0
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381473 134972224 1 SN2O2H16C18 AB2C2D16E18 2.02 4.03 -8.72 -1.3 0
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381474 134972225 1 O5C31H34 A5B31C34 -103.11 1.91 -9.25 0.06 0
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381475 134972227 1 O2N3C20H21 A2B3C20D21 -19.59 1.88 -8.2 -1.57 0
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381476 134972228 1 N5O7C21H35 A5B7C21D35 -319.78 4.62 -8.89 -0.75 0
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381477 134972229 1 N5O11C33H55 A5B11C33D55 -534.94 4.2 -8.63 -0.24 0
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381478 134972232 1 IOC22H37 ABC22D37 -79.37 3.43 -8.82 -0.57 0
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381479 134972233 1 O2C27H44 A2B27C44 -105.62 4.18 -8.73 -0.16 0
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381480 134972234 1 N2O2H18C23 A2B2C18D23 27.46 2.65 -8.08 -1.82 1
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381481 134972235 1 NO5C34H36 AB5C34D36 -54.65 2.64 0.0 0.0 0
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381482 134972236 1 NO5C34H35 AB5C34D35 -53.14 2.95 -9.43 -0.02 1
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381483 134972238 1 PO2C22H36 AB2C22D36 -90.61 7.14 0.0 0.0 1
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381484 134972239 1 PO2C22H36 AB2C22D36 -121.43 10.19 0.0 0.0 0
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381485 134972240 1 SnO2C19H34 AB2C19D34 -98.67 5.95 -9.48 -0.79 0
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381486 134972241 1 NO4C26H27 AB4C26D27 -38.25 3.19 -9.5 -0.1 0
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381487 134972243 1 NSiO4C28H31 ABC4D28E31 -98.39 3.75 -9.1 -0.14 0
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381488 134972244 1 N2O4C25H28 A2B4C25D28 -63.58 3.76 -9.32 -0.12 0
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381489 134972245 1 N2O4C25H28 A2B4C25D28 -88.54 3.99 -9.04 -0.03 0
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381490 134972246 1 O6C23H28 A6B23C28 -211.35 2.98 -8.59 0.29 0
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381491 134972247 2 O3C8H11 A3B8C11 -245.17 2.03 -8.93 0.1 0
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381492 134972248 2 OC5H9 AB5C9 -127.89 1.57 -9.68 2.34 0
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381493 134972249 1 ClO2C9H13 AB2C9D13 -101.07 4.68 -9.66 -0.57 0
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381494 134972250 1 SN2O4C19H24 AB2C4D19E24 -101.09 5.63 -9.52 -0.19 0
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381495 134972252 1 O4C13H16 A4B13C16 -138.09 3.67 -10.23 -1.12 0
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381496 134972253 1 O6H20C21 A6B20C21 -202.98 1.87 -9.53 -1.7 0
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381497 134972254 1 O5C22H26 A5B22C26 -208.14 6.55 -9.0 -1.16 0
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381498 134972255 1 Br2N4O6H28C29 A2B4C6D28E29 -190.46 8.75 -9.23 -1.34 0
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381499 134972256 1 NOH29C31 ABC29D31 67.09 1.4 -8.73 -0.17 0
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381500 134972257 1 O18C27H38 A18B27C38 -804.42 3.26 -10.19 0.38 0
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381501 134972258 1 O6C31H36 A6B31C36 -187.24 2.53 -9.32 0.08 0
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381502 134972259 1 OSiC14H26 ABC14D26 -61.76 2.65 -9.57 0.75 0
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381503 134972260 1 N5O7C30H35 A5B7C30D35 -263.46 2.13 -8.58 -0.17 0
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381504 134972261 1 N5O7C30H35 A5B7C30D35 -261.75 3.56 -8.6 -0.19 0
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381505 134972262 1 N3O6C26H31 A3B6C26D31 -236.42 4.02 -9.3 -0.28 0
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381506 134972264 1 S2O4Cl6C13H14 A2B4C6D13E14 -85.7 9.34 -9.8 -1.4 -1
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381508 134972266 1 BrCuH ABC 56.99 3.95 0.0 0.0 0
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381509 134972267 1 SiO4C32H40 AB4C32D40 -121.02 3.27 -8.78 0.21 0
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381510 134972268 1 IO2C9H9 AB2C9D9 -41.78 5.04 -9.55 -1.32 0
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381511 134972270 2 NOH10C12 ABC10D12 76.01 3.76 -8.43 -1.5 0
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381512 134972272 1 OPH17C21 ABC17D21 50.6 8.11 -8.69 -0.21 0
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381513 134972273 1 Si2C19H26 A2B19C26 -6.48 1.41 -9.14 0.24 0
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381514 134972274 1 NO2H15C17 AB2C15D17 -13.48 2.4 -8.67 -0.72 0
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381515 134972276 1 NO5C16H17 AB5C16D17 -47.55 5.87 -10.17 -1.45 0
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381517 134972279 1 N2O5C24H26 A2B5C24D26 -155.96 4.1 -9.08 -1.02 1
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381518 134972280 1 SO5H13C15 AB5C13D15 -120.05 3.16 0.0 0.0 0
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381519 134972282 2 O3H7C8 A3B7C8 -207.71 7.8 -8.47 -1.35 0
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381520 134972283 1 O2C23H28 A2B23C28 -3.44 0.71 -9.32 0.29 0
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381521 134972284 1 O3C23H30 A3B23C30 -96.54 3.29 -9.34 0.28 0
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381522 134972285 1 NS2O6C21H23 AB2C6D21E23 -207.55 10.07 -8.73 -0.62 0
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381523 134972286 1 SSi2F3O10C29H49 AB2C3D10E29F49 -675.09 2.56 -8.51 -1.72 0
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381524 134972287 1 Si2N3O7C28H49 A2B3C7D28E49 -339.31 5.57 -8.86 -0.16 0
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381525 134972288 1 NSi2O7C27H49 AB2C7D27E49 -387.7 16.05 -8.17 -0.69 0
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381526 134972289 1 NSi2O7C27H49 AB2C7D27E49 -417.7 6.44 -8.79 0.21 0
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381527 134972290 1 ClN2O2C26H27 AB2C2D26E27 -26.4 5.88 -9.16 -0.74 0
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381528 134972291 1 ClN2O2C26H27 AB2C2D26E27 -28.3 2.46 -9.16 -0.76 0
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381529 134972292 2 NOH10C12 ABC10D12 21.55 2.3 -8.16 -1.67 0
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381530 134972293 1 N2O3H20C24 A2B3C20D24 -7.24 2.27 -7.99 -1.61 1
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381531 134972299 1 PN3O13C18H31 AB3C13D18E31 -606.54 5.46 0.0 0.0 0
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381532 134972300 1 PN3O13C18H30 AB3C13D18E30 -633.26 9.31 -10.03 -0.57 0
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381533 134972301 2 NSiO3C21H27 ABC3D21E27 -281.32 4.41 -8.97 -0.06 0
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381534 134972302 1 NSiO3C24H33 ABC3D24E33 -119.97 2.69 -8.68 -0.06 -1
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381535 134972303 1 N2H7C8 A2B7C8 99.42 1.88 0.0 0.0 0
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381536 134972304 1 BrO2C17H17 AB2C17D17 -47.03 3.61 -8.66 -0.32 0
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381537 134972305 1 BrNO2C16H16 ABC2D16E16 -38.29 5.65 -8.99 -0.5 0
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381538 134972306 1 O5C19H26 A5B19C26 -202.6 1.5 -9.58 -0.37 0
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381539 134972307 1 O4C17H24 A4B17C24 -156.11 4.22 -9.54 0.17 0
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381540 134972308 1 O4C9H14 A4B9C14 -172.04 4.96 -10.47 0.3 0
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381541 134972309 1 NCl3O11C43H44 AB3C11D43E44 -360.43 4.96 -9.34 -0.57 0
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381542 134972310 1 BrOF5H8C10 ABC5D8E10 -234.92 4.7 -10.31 -1.62 0
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381543 134972311 1 NF3O8C27H34 AB3C8D27E34 -453.86 3.51 -9.83 -0.48 0
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381544 134972312 1 InCl2C4H7 AB2C4D7 -44.15 3.78 -9.96 -1.47 0
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381545 134972313 1 NO5C16H19 AB5C16D19 -207.17 1.02 -8.49 0.22 0
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381546 134972314 1 N2O5C14H20 A2B5C14D20 -155.55 2.15 -10.09 -0.76 0
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381547 134972315 1 ClSiO2C38H43 ABC2D38E43 -63.77 3.07 -8.6 -0.11 0
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381548 134972316 2 NO2H6C9 AB2C6D9 -65.49 3.88 -9.42 -2.16 0
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381549 134972317 1 O26C39H54 A26B39C54 -1167.47 4.23 -9.73 0.32 0
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381550 134972319 1 O3C7H8 A3B7C8 -99.92 5.01 -9.74 -0.84 0
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381551 134972320 1 SO3C19H20 AB3C19D20 27.01 4.81 -8.24 -0.64 0
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381553 134972323 1 SiO2C13H26 AB2C13D26 -125.65 1.36 -8.84 0.98 0
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381554 134972324 1 NOSC11H13 ABCD11E13 -9.23 2.04 -8.9 -0.26 0
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381555 134972325 2 SiO2C9H19 AB2C9D19 -364.67 2.47 -8.73 0.91 0
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381556 134972327 1 N3H7C11 A3B7C11 104.91 7.09 -9.17 -1.14 0