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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396355 135028193 1 ClNO3H16C19 ABC3D16E19 -51.42 4.48 -9.84 -1.19 0
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396356 135028194 1 NO6C24H27 AB6C24D27 -190.42 4.59 -8.24 -0.45 0
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396357 135028204 2 NO2C7H11 AB2C7D11 -144.55 2.43 -8.99 0.23 0
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396358 135028205 1 SiO4C37H50 AB4C37D50 -195.74 3.59 -8.84 0.2 0
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396359 135028207 1 N3C23H29 A3B23C29 68.67 3.42 -8.67 -0.18 0
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396360 135028209 1 N3F6H11C17 A3B6C11D17 -207.87 2.46 -9.61 -1.24 0
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396361 135028211 1 N2O6C21H24 A2B6C21D24 -94.98 4.49 -9.67 -1.64 0
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396362 135028212 1 NO2C9H9 AB2C9D9 -54.13 3.06 -10.46 -0.22 0
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396363 135028213 2 NO2C10H13 AB2C10D13 -148.82 4.63 -9.41 -0.4 1
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396364 135028215 1 NOC4H8 ABC4D8 -16.18 4.35 0.0 0.0 0
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396365 135028216 2 FC6H10 AB6C10 -97.21 2.46 -11.0 0.78 0
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396366 135028217 2 BC4H4 AB4C4 157.74 1.23 -8.05 -0.54 0
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396368 135028220 1 O4C13H16 A4B13C16 -146.82 3.8 -10.24 0.01 0
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396369 135028221 1 NF3H20C21 AB3C20D21 -120.0 4.42 -9.27 -1.13 0
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396372 135028224 1 SN2O2C22H26 AB2C2D22E26 -32.18 6.46 -9.24 -1.16 0
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396373 135028225 2 NOC10H10 ABC10D10 39.37 7.08 -9.28 -1.67 0
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396374 135028226 2 NSO6H21C22 ABC6D21E22 -378.55 11.23 -8.57 -0.94 0
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396375 135028227 1 SN2O3C25H26 AB2C3D25E26 -48.47 4.37 -9.07 -0.36 0
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396376 135028228 1 NOF3C12H14 ABC3D12E14 -192.91 3.29 -9.06 -0.01 0
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396377 135028229 1 NSC20H23 ABC20D23 34.86 2.06 -8.42 0.06 0
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396379 135028231 1 IO4C25H35 AB4C25D35 -145.4 5.99 -8.79 -0.78 1
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396380 135028232 1 BrO2N7H23C25 AB2C7D23E25 76.68 7.03 0.0 0.0 0
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396381 135028233 1 OS2H16C23 AB2C16D23 81.33 1.75 -7.87 -1.26 0
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396382 135028234 1 NH21C31 AB21C31 154.0 4.62 -8.96 -0.81 0
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396383 135028235 1 OC15H24 AB15C24 1.73 2.66 -9.29 0.86 -1
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396384 135028237 1 AlPC11H26 ABC11D26 -80.16 1.36 -7.88 2.34 0
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396385 135028238 1 BNC23H32 ABC23D32 -29.01 4.77 -8.24 0.51 0
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396386 135028239 1 N2O5F6H18C22 A2B5C6D18E22 -454.34 3.65 -10.99 -0.56 0
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396389 135028242 1 NYO2C3H6 ABC2D3E6 25.74 2.49 -6.01 -0.87 0
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396390 135028245 1 O2N3H23C24 A2B3C23D24 48.15 3.1 -9.24 -0.57 0
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396391 135028247 1 OC20H20 AB20C20 14.81 1.1 -8.36 -0.47 0
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396393 135028249 1 NC20H21 AB20C21 43.04 2.22 -9.09 -0.56 0
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396394 135028250 2 NOC7H11 ABC7D11 6.2 2.24 -8.34 1.03 0
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396395 135028251 1 O5C16H20 A5B16C20 -202.35 3.22 -9.49 0.18 0
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396396 135028252 1 O5C18H22 A5B18C22 -197.78 1.63 -9.47 0.17 0
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396397 135028253 1 O5C19H24 A5B19C24 -204.61 1.73 -9.47 0.17 0
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396398 135028257 3 OC4H6 AB4C6 -143.42 6.08 -9.95 0.33 0
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396399 135028262 1 SiO7C21H42 AB7C21D42 -390.98 2.49 -8.97 0.79 0
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396400 135028276 1 NSiO8C34H49 ABC8D34E49 -348.22 2.23 -8.92 0.22 0
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396402 135028283 1 O3H10C11 A3B10C11 -31.23 6.22 -10.33 -0.21 0
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396403 135028287 1 O4C15H22 A4B15C22 -162.31 0.69 -9.95 -0.36 0
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396406 135028292 1 OSC6H10 ABC6D10 -51.91 2.66 -8.68 0.56 0
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396407 135028296 1 O2N3H21C25 A2B3C21D25 86.74 5.26 -9.24 -0.65 0
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396409 135028311 1 BrN2O4C22H27 AB2C4D22E27 -143.52 4.95 -9.27 -0.58 0
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396410 135028315 1 OC12H20 AB12C20 -34.28 1.33 -8.77 1.24 0
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396411 135028329 2 O3C9H10 A3B9C10 -213.46 4.56 -8.92 0.2 0
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396412 135028331 2 AlNC29H30 ABC29D30 285.46 2.03 -8.35 -0.32 0
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396413 135028346 1 NS2O3C13H17 AB2C3D13E17 -85.95 5.06 -9.4 -0.97 0
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396414 135028354 1 C13H22 A13B22 2.64 0.57 -9.51 1.22 0
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396415 135028363 1 NO4C16H23 AB4C16D23 -184.17 2.58 -9.6 -0.12 0
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396417 135028377 1 NOH17C20 ABC17D20 32.62 4.39 -9.05 -0.87 0
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396418 135028389 1 OSiC12H23 ABC12D23 -58.43 1.62 0.0 0.0 0
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396419 135028392 2 OH9C15 AB9C15 125.81 0.35 -8.38 -1.44 0
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396420 135028394 2 OH9C15 AB9C15 125.44 3.01 -8.23 -1.47 0
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396421 135028395 3 BrOH5C10 ABC5D10 65.36 0.19 -8.67 -1.03 0
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396422 135028396 1 NOC19H19 ABC19D19 38.82 5.67 -8.76 -0.23 0
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396423 135028397 1 N2O2C13H16 A2B2C13D16 -28.08 1.33 -9.33 -0.65 0
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396424 135028401 1 O6H22C23 A6B22C23 -143.19 4.87 -8.51 -0.71 0
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396425 135028402 1 O9C26H30 A9B26C30 -304.4 3.21 -8.52 -1.08 0
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396426 135028403 1 O9C26H32 A9B26C32 -342.42 4.56 -8.52 -0.21 0
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396427 135028404 1 NO6C21H23 AB6C21D23 -210.51 4.29 -8.74 -0.67 0
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396428 135028405 1 NO6C21H23 AB6C21D23 -133.66 5.37 -8.51 -0.79 1
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396429 135028406 1 NO6C21H24 AB6C21D24 -188.81 2.35 0.0 0.0 0
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396430 135028407 1 NO7C22H27 AB7C22D27 -229.39 6.55 -8.54 -1.07 -4
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396431 135028409 1 MnPO5H23C24 ABC5D23E24 62.17 6.09 0.0 0.0 0
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396432 135028410 1 SO5C6H12 AB5C6D12 -236.01 4.16 -9.7 -0.23 0
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396433 135028412 2 S2O3C21H27 A2B3C21D27 -222.12 2.11 -7.65 -1.18 0
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396434 135028413 1 SiN2O2C25H36 AB2C2D25E36 -40.88 3.02 -9.09 -0.12 0
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396435 135028414 1 ON2C12H18 AB2C12D18 -34.28 3.18 -8.93 0.37 0
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396436 135028415 1 O3C20H28 A3B20C28 -85.73 3.24 -9.32 0.37 0
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396437 135028416 1 NBr2O3C16H19 AB2C3D16E19 -48.05 5.0 -9.63 -1.63 1
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396438 135028417 1 NSiO6C33H48 ABC6D33E48 -278.86 3.72 0.0 0.0 0
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396439 135028418 1 NSiO6C33H47 ABC6D33E47 -265.62 2.2 -8.85 0.2 0
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396440 135028419 2 O2C10H11 A2B10C11 -153.69 4.08 -9.75 -0.63 1
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396441 135028420 1 NH8C13 AB8C13 108.34 2.85 0.0 0.0 0
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396442 135028421 2 O2N3C21H22 A2B3C21D22 84.14 3.57 -9.47 -0.39 0
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396443 135028422 1 ON3H7C8 AB3C7D8 66.78 4.88 -8.73 -0.57 0
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396444 135028424 1 O2N3H21C27 A2B3C21D27 58.5 9.41 -8.89 -0.81 0
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396445 135028425 1 O2N3H21C27 A2B3C21D27 55.16 6.04 -8.77 -0.78 0
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396446 135028426 1 O2N3H21C27 A2B3C21D27 42.83 8.35 -8.53 -0.46 0
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396447 135028427 1 BrNC14H20 ABC14D20 42.81 2.74 -8.84 0.03 0
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396448 135028428 1 NO4C26H33 AB4C26D33 -114.71 2.57 -9.46 0.01 0
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396449 135028430 1 NO2C14H17 AB2C14D17 -78.52 2.45 -8.59 0.05 0
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396450 135028433 1 BrS2N4O4H27C28 AB2C4D4E27F28 3.6 11.04 -9.3 -1.02 0
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396451 135028434 1 SN3O3H17C19 AB3C3D17E19 16.72 9.38 -9.72 -0.7 0
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396452 135028435 1 SO2N3H21C23 AB2C3D21E23 58.94 8.65 -9.43 -0.66 0
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396453 135028436 1 SO2N3C15H15 AB2C3D15E15 24.55 7.37 -9.86 -0.32 0
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396454 135028438 1 SO2N3C25H27 AB2C3D25E27 25.94 5.75 -9.6 -0.6 0
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396455 135028439 1 SO2N3H19C21 AB2C3D19E21 47.23 8.99 -9.77 -0.64 0
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396456 135028440 1 SO2N3H15C16 AB2C3D15E16 52.42 5.51 -10.05 -0.57 0
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396457 135028450 1 O2C17H30 A2B17C30 -133.21 1.99 -9.39 2.18 0
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396458 135028452 1 OSC15H20 ABC15D20 -31.8 3.17 -8.94 -0.17 0
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396459 135028453 2 FC5H5 AB5C5 -66.5 2.28 -9.63 0.14 0
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396460 135028460 1 O5C17H22 A5B17C22 -195.9 4.04 -10.04 -0.47 0
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396461 135028465 1 NO5C22H37 AB5C22D37 -256.86 3.38 -9.3 -0.02 0
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396462 135028469 1 SiO5C18H30 AB5C18D30 -244.64 1.17 -8.97 0.19 0
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396463 135028472 1 N3O7C14H23 A3B7C14D23 -273.2 2.63 -10.42 -0.53 0
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396464 135028477 1 OF2H10C16 AB2C10D16 -55.35 1.62 -8.63 -0.9 0
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396465 135028483 1 O4C13H18 A4B13C18 -124.13 1.55 -8.81 0.23 0
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396466 135028489 1 NO5C23H25 AB5C23D25 -138.38 6.52 -9.23 -1.02 0