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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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22455 597254 1 OSN5C17H21 ABC5D17E21 36.91 5.4 -8.78 -0.68 0
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22456 597255 1 O5C9H10 A5B9C10 -184.66 2.82 -10.01 -0.4 0
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22457 597262 1 FHCl2N2C4 ABC2D2E4 -8.28 1.94 -10.88 -1.6 0
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22458 597267 1 ClNSO3C10H12 ABCD3E10F12 -123.6 2.4 -8.87 -0.94 0
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22459 597268 1 ClNSO2F3C14H17 ABCD2E3F14G17 -237.29 5.38 -9.2 -0.99 0
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22460 597271 1 NOSC9H11 ABCD9E11 -23.29 3.98 -8.97 -0.64 0
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22461 597289 1 FeO3C11H14 AB3C11D14 -25.07 1.95 -7.28 0.84 -4
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22462 597294 1 NO2C11H17 AB2C11D17 -100.5 3.75 -8.81 0.42 0
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22463 597303 1 NC20H37 AB20C37 -26.81 1.13 -8.41 1.29 0
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22464 597305 1 NS2O4C11H17 AB2C4D11E17 -171.42 3.35 -8.51 -0.37 0
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22465 597315 2 SC6H7 AB6C7 26.73 1.96 -8.68 -0.72 0
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22466 597316 2 SC6H7 AB6C7 25.92 2.23 -8.55 -0.65 0
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22467 597335 2 SC8H11 AB8C11 8.74 0.81 -8.36 -0.52 0
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22468 597343 1 ON2H16C19 AB2C16D19 41.06 6.16 -9.13 -0.33 0
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22469 597345 1 SN3C12H23 AB3C12D23 2.53 1.3 -8.6 -0.22 0
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22470 597347 1 O2N3C16H19 A2B3C16D19 -25.22 5.36 -9.38 -0.54 0
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22471 597349 1 SC14H24 AB14C24 -29.65 0.24 -8.89 0.24 0
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22472 597350 1 O2C13H20 A2B13C20 -93.82 4.11 -9.86 -0.21 0
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22473 597351 1 O4C13H18 A4B13C18 -136.38 3.47 -8.61 0.09 0
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22474 597352 1 O2C13H22 A2B13C22 -123.87 0.65 -9.75 0.66 0
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22475 597353 2 OC7H12 AB7C12 -127.53 2.04 -9.94 0.18 0
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22476 597355 1 BO2C12H23 AB2C12D23 -187.54 1.73 -9.27 0.86 0
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22477 597356 1 N2O3S3C12H12 A2B3C3D12E12 -81.94 2.67 -9.29 -1.88 0
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22478 597357 2 ClNC4H4 ABC4D4 16.46 3.74 -9.67 -0.71 0
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22479 597358 1 NO3C23H25 AB3C23D25 -56.46 5.37 -9.5 -0.24 0
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22480 597359 1 SO3C13H18 AB3C13D18 -138.82 5.93 -9.49 -0.94 0
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22481 597360 1 SiO7C35H42 AB7C35D42 -308.26 1.93 -9.0 -0.34 0
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22482 597361 1 NS3C10H11 AB3C10D11 38.95 2.4 -9.06 -1.5 0
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22483 597362 1 N3O3C9H11 A3B3C9D11 -13.48 2.59 -9.28 -0.85 0
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22484 597363 1 N3O6H11C12 A3B6C11D12 -132.82 3.76 -9.36 -1.64 0
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22485 597364 1 OS2C13H18 AB2C13D18 -40.87 0.54 -8.52 -0.24 0
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22486 597365 1 NO4H11C12 AB4C11D12 -142.34 5.09 -9.3 -1.08 0
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22487 597366 1 SN2O3C8H8 AB2C3D8E8 -69.32 8.16 -8.35 -1.44 0
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22488 597367 1 SN2O3C8H9 AB2C3D8E9 -84.01 4.34 0.0 0.0 1
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22489 597368 1 N5O5H31C32 A5B5C31D32 -50.8 4.36 -8.22 -1.06 0
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22490 597369 1 O3N4H14C19 A3B4C14D19 80.31 8.51 -9.39 -1.83 0
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22491 597370 1 O2N3C7H9 A2B3C7D9 -39.15 2.42 -9.49 0.07 0
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22492 597371 1 O3C20H32 A3B20C32 -173.4 1.86 -9.44 -0.51 0
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22493 597372 1 O2C15H26 A2B15C26 -126.88 1.76 -9.67 0.59 0
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22494 597373 1 NO4C9H13 AB4C9D13 -178.57 1.53 -10.15 0.04 0
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22495 597374 2 OC13H15 AB13C15 -40.41 1.75 -9.2 -0.18 0
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22496 597375 1 N2O3C18H22 A2B3C18D22 -87.19 2.6 -8.26 0.06 0
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22497 597377 1 SO2C22H42 AB2C22D42 -174.51 1.74 -9.28 0.28 0
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22498 597379 1 FN3O3C9H10 AB3C3D9E10 -115.91 6.02 -8.74 -0.8 0
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22499 597380 1 N3O3H5C6 A3B3C5D6 16.92 2.22 -10.39 -1.21 0
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22500 597381 1 OSN3H5C6 ABC3D5E6 31.65 7.44 -9.57 -1.31 0
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22501 597382 2 N4C5H8 A4B5C8 83.79 5.71 -9.17 -0.22 0
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22502 597383 1 N6C13H18 A6B13C18 66.08 1.99 -9.06 0.06 0
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22503 597384 1 O3C10H16 A3B10C16 -136.04 2.9 -9.66 1.4 0
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22504 597385 1 N2Si2O4C15H32 A2B2C4D15E32 -301.03 4.26 -9.64 0.07 0
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22505 597386 1 OSiC16H20 ABC16D20 -54.45 1.04 -9.42 0.08 0
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22506 597387 1 OPSSiC5H15 ABCDE5F15 -207.02 5.13 -8.63 -0.45 0
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22507 597388 1 SiO2C12H20 AB2C12D20 -133.75 1.49 -8.63 -0.08 0
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22508 597393 2 S2O4C10H11 A2B4C10D11 -267.49 4.06 -8.83 -1.64 0
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22509 597396 1 BrNOC12H12 ABCD12E12 -20.51 2.31 -8.62 -0.37 0
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22510 597397 1 HN5C8 AB5C8 164.78 5.21 -11.01 -2.06 0
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22511 597398 1 O3C21H28 A3B21C28 -145.13 2.18 -9.14 -0.44 0
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22512 597399 1 ClC18H19 AB18C19 73.47 2.41 -9.35 0.38 0
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22513 597401 1 SO3C27H32 AB3C27D32 -89.08 4.81 -9.24 -0.61 0
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22514 597402 2 O2C6H9 A2B6C9 -171.13 2.77 -10.49 -0.5 0
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22515 597403 1 O2N8C31H36 A2B8C31D36 17.07 0.44 -9.12 0.05 0
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22516 597404 4 H7C8 A7B8 135.42 0.02 -9.26 0.25 0
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22517 597405 1 O5H14C16 A5B14C16 -154.82 4.36 -9.54 -0.61 0
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22518 597407 1 NO3C8H9 AB3C8D9 -97.84 2.6 -10.4 -1.61 0
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22519 597408 2 O2C5H7 A2B5C7 -162.3 3.55 -8.8 -0.16 0
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22520 597410 1 SC5H5N5 AB5C5D5 115.86 5.38 -9.62 -1.78 0
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22521 597411 2 C3N3O3H4 A3B3C3D4 -56.27 5.04 -10.85 -1.73 0
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22522 597417 2 OC8H14 AB8C14 -89.27 1.87 -9.78 0.97 0
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22523 597418 1 NO2C9H13 AB2C9D13 -78.78 7.85 -8.97 0.22 0
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22524 597423 1 SC13H22 AB13C22 -27.94 0.45 -8.9 0.23 0
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22525 597425 1 O3C12H16 A3B12C16 -82.86 2.91 -8.33 0.23 0
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22526 597429 1 O5C18H20 A5B18C20 -166.04 2.64 -8.72 0.16 0
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22527 597449 1 NO3C8H9 AB3C8D9 -109.16 1.61 -9.52 -0.77 0
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22528 597528 1 SC14H14 AB14C14 40.53 1.84 -9.03 0.02 0
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22529 597529 1 OH20C21 AB20C21 28.24 1.54 -9.28 0.19 0
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22530 597530 2 NO2C10H10 AB2C10D10 -85.91 1.83 -9.48 -1.25 0
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22531 597534 1 NSH15C18 ABC15D18 81.01 1.31 -8.67 -0.31 0
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22532 597544 1 SO2N5C15H15 AB2C5D15E15 16.9 1.63 -9.09 -0.78 0
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22534 597554 1 ON6C13H18 AB6C13D18 21.46 3.72 -8.72 0.03 0
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22535 597557 1 B2O6C23H28 A2B6C23D28 -338.98 2.06 -9.4 0.0 0
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22536 597573 1 BrN3O3H5C8 AB3C3D5E8 50.6 4.92 0.0 0.0 1
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22537 597575 1 OSN2Cl3H7C11 ABC2D3E7F11 -1.1 3.5 -8.92 -0.97 0
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22538 597576 2 NOH10C11 ABC10D11 10.28 5.18 -9.06 -0.39 0
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22539 597577 2 ON3C4H6 AB3C4D6 -28.98 4.64 -9.4 -0.61 0
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22540 597587 1 N2O2C9H14 A2B2C9D14 -78.29 4.08 -8.84 -0.85 0
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22541 597607 1 NOS2H9C10 ABC2D9E10 1.27 2.77 -8.79 -0.86 0
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22542 597608 4 OC3H4 AB3C4 -186.16 3.92 -9.24 -0.55 0
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22543 597640 1 O2H14C15 A2B14C15 -42.86 2.06 -9.44 -0.59 0
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22544 597650 1 N5C13H19 A5B13C19 63.5 3.43 -8.71 -0.45 0
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22545 597652 1 OC26H32 AB26C32 -22.25 2.78 -9.1 0.09 0
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22546 597656 1 NOS2H9C13 ABC2D9E13 35.15 4.0 -8.86 -1.39 0
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22547 597660 1 SN2O4C11H12 AB2C4D11E12 -61.88 0.93 -8.49 -1.69 0
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22548 597667 1 ON7C22H23 AB7C22D23 66.87 5.87 -8.12 -0.18 0
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22549 597669 1 NOSC17H17 ABCD17E17 40.49 4.99 -8.84 -0.89 0
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22550 597674 1 O5C18H24 A5B18C24 -167.94 10.01 -9.82 -0.71 0
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22551 597712 1 NO2C11H19 AB2C11D19 -71.07 3.23 -8.69 0.22 0
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22552 597713 1 BNOC10H22 ABCD10E22 -143.79 2.84 -9.1 2.08 0
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22553 597715 1 ON3C12H23 AB3C12D23 -47.39 2.51 -9.06 0.34 0
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22554 597716 1 SN4C6H8 AB4C6D8 69.28 4.53 -9.2 -0.27 0
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22555 597727 1 NC13H27 AB13C27 -51.78 1.46 -8.7 3.12 0