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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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424367 135122416 1 N3O5C25H31 A3B5C25D31 -166.33 5.74 -9.56 -1.46 0
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424368 135122417 1 N4O5C26H34 A4B5C26D34 -189.41 9.21 -9.34 -1.34 0
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424369 135122419 1 N4O5C26H34 A4B5C26D34 -176.37 8.2 -9.57 -1.0 0
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424370 135122420 1 N4O5C25H32 A4B5C25D32 -178.14 3.28 -9.58 -1.04 0
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424371 135122425 1 SO2F3N6C25H25 AB2C3D6E25F25 -130.62 7.62 -8.67 -0.92 0
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424372 135122429 1 IO2N3C15H22 AB2C3D15E22 -45.14 2.09 -9.66 -0.87 0
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424373 135122441 1 ClF3N3O5H17C20 AB3C3D5E17F20 -265.67 4.27 -8.86 -0.86 0
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424374 135122443 1 N4O5C28H38 A4B5C28D38 -199.02 6.51 -9.56 -0.99 0
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424375 135122444 1 N4O5C27H36 A4B5C27D36 -193.61 3.79 -9.54 -1.1 0
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424376 135122455 1 N2O2C9H12 A2B2C9D12 -50.68 4.31 -10.17 -1.31 0
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424377 135122462 1 N3O4C25H33 A3B4C25D33 -150.25 7.51 -9.43 -0.75 0
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424378 135122473 1 FO3C11H13 AB3C11D13 -161.38 0.74 -9.55 -0.64 0
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424379 135122475 2 NOH6C8 ABC6D8 5.83 3.48 -8.79 -1.39 0
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424380 135122477 1 ClN3O4C24H30 AB3C4D24E30 -150.83 4.99 -9.49 -1.06 -1
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424381 135122481 1 N12O14C84H125 A12B14C84D125 -553.79 17.45 0.0 0.0 0
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424382 135122482 2 N6O7C42H63 A6B7C42D63 -630.67 4.75 -9.37 -0.26 0
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424383 135122483 1 N5O5C31H43 A5B5C31D43 -186.32 3.72 -8.74 -0.91 0
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424384 135122485 1 N3O4C20H31 A3B4C20D31 -166.87 2.81 -9.34 -0.34 0
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424385 135122486 1 N4O5C27H36 A4B5C27D36 -188.57 3.63 -9.39 -1.25 0
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424386 135122500 1 N2O3C17H26 A2B3C17D26 -127.84 4.69 -9.67 -0.06 0
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424387 135122506 1 ClFO2C10H10 ABC2D10E10 -128.88 1.91 -10.08 -1.19 0
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424388 135122509 1 SO5C10H20 AB5C10D20 -244.38 3.75 -10.16 0.25 0
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424389 135122513 2 NO2C12H16 AB2C12D16 -115.29 4.64 -9.35 -0.45 0
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424390 135122514 1 ClO3N6C24H29 AB3C6D24E29 -70.76 6.1 -8.51 -1.01 0
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424391 135122518 1 N4O5C28H38 A4B5C28D38 -196.41 9.98 -9.37 -1.12 0
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424392 135122521 1 N3O3C18H29 A3B3C18D29 -120.7 3.33 -9.52 -0.49 0
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424393 135122522 1 N2O3H12C13 A2B3C12D13 -78.86 9.91 -8.59 -1.58 0
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424394 135122527 1 FNO3C15H22 ABC3D15E22 -164.05 4.37 -9.36 0.34 0
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424395 135122530 2 N2O3C15H20 A2B3C15D20 -226.75 7.98 -9.46 -1.13 0
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424396 135122534 1 ClOSN4F5H6C15 ABCD4E5F6G15 -185.78 7.81 -9.54 -2.01 0
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424397 135122546 1 N5O5C29H39 A5B5C29D39 -162.07 4.75 -9.36 -1.02 0
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424398 135122547 1 OSF3N6C26H27 ABC3D6E26F27 -70.05 3.19 -8.71 -0.96 0
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424399 135122548 1 OF3N4H11C12 AB3C4D11E12 -127.34 4.3 -8.39 -0.56 0
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424400 135122549 4 NOC6H7 ABC6D7 -87.5 6.83 -9.54 -1.32 0
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424401 135122550 1 NO4C12H13 AB4C12D13 -136.07 5.04 -9.69 -0.94 0
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424402 135122561 1 F3N3O4C18H22 A3B3C4D18E22 -261.09 3.09 -8.75 -0.67 0
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424403 135122566 1 ClO3N5C25H30 AB3C5D25E30 -83.14 4.02 -8.22 -1.07 0
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424404 135122567 1 ClO3N5C25H30 AB3C5D25E30 -83.4 4.45 -8.29 -1.06 0
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424405 135122575 2 O3C8H8 A3B8C8 -191.61 4.56 -9.03 -0.69 0
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424406 135122577 2 NOC11H14 ABC11D14 -33.42 4.32 -8.8 0.24 0
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424407 135122579 1 N2O3C17H26 A2B3C17D26 -127.98 6.86 -9.65 -0.03 0
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424408 135122582 1 N5O8C36H45 A5B8C36D45 -269.35 3.42 -9.6 -1.11 0
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424409 135122583 1 N4O5C26H34 A4B5C26D34 -167.21 3.08 -9.49 -1.06 0
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424410 135122586 1 N5O6C30H39 A5B6C30D39 -223.51 6.69 -9.52 -1.27 0
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424411 135122588 1 N4O5C27H36 A4B5C27D36 -189.78 4.91 -9.52 -1.1 0
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424412 135122595 1 NOP2C15H35 ABC2D15E35 -106.37 1.86 -8.58 2.05 0
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424413 135122596 1 SO2F3N7C25H26 AB2C3D7E25F26 -99.3 2.24 -8.58 -1.02 0
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424414 135122597 1 N11O15C71H91 A11B15C71D91 -540.14 11.71 -8.86 -1.26 0
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424415 135122602 1 SF3N4C21H23 AB3C4D21E23 -93.26 5.72 -8.61 -0.8 0
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424416 135122603 1 N3O4C23H29 A3B4C23D29 -134.52 6.56 -9.45 -0.84 0