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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411529 135084361 1 OC15H18 AB15C18 -32.57 2.89 -9.22 0.19 0
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411530 135084362 1 NSH9C13 ABC9D13 133.12 1.57 -8.96 -0.99 0
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411531 135084363 1 O2N3C11H13 A2B3C11D13 -13.26 2.91 -9.47 -1.05 0
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411532 135084364 2 OC7H9 AB7C9 -46.7 3.7 -9.28 0.42 0
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411533 135084365 1 O3C10H12 A3B10C12 -16.59 3.0 -10.25 -0.03 0
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411534 135084366 5 C3H4 A3B4 29.94 0.85 -9.28 0.44 0
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411535 135084367 5 C3H4 A3B4 31.37 0.45 -9.3 0.44 0
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411536 135084368 1 OC10H18 AB10C18 -74.05 1.68 -9.24 1.44 0
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411537 135084369 1 OSiC13H28 ABC13D28 -118.75 1.76 -8.78 1.22 0
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411538 135084370 1 OSiC16H28 ABC16D28 -75.17 1.64 -8.75 0.46 0
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411539 135084371 1 OC14H18 AB14C18 0.09 1.93 -9.34 0.36 0
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411540 135084372 2 OSH5C6 ABC5D6 4.78 2.37 -8.8 -0.98 0
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411541 135084373 1 N2O2C11H14 A2B2C11D14 -39.69 3.98 -8.66 -0.47 0
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411542 135084374 1 FNO4C12H16 ABC4D12E16 -223.85 5.84 -10.29 -0.46 0
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411543 135084375 1 ClOC13H17 ABC13D17 -42.34 3.61 -9.06 -0.46 1
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411544 135084376 1 NOC6H8 ABC6D8 -23.38 2.68 0.0 0.0 1
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411545 135084377 1 OPSC13H14 ABCD13E14 3.82 4.78 0.0 0.0 0
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411546 135084378 2 NC7H10 AB7C10 41.16 2.53 -8.37 -0.2 0
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411547 135084379 1 ISN2O2H9C11 ABC2D2E9F11 2.6 5.91 -9.16 -1.25 0
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411548 135084380 1 ClNOBr2H8C9 ABCD2E8F9 16.9 1.32 -9.32 -1.14 0
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411549 135084381 1 OC14H28 AB14C28 -90.05 1.54 -9.78 2.51 0
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411550 135084382 1 O5C12H18 A5B12C18 -227.36 4.66 -10.21 -0.1 0
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411551 135084383 2 O2C7H9 A2B7C9 -127.71 6.23 -10.23 -0.73 0
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411552 135084384 1 O2C15H22 A2B15C22 -52.35 3.43 -9.17 0.67 0
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411553 135084385 1 C13H16 A13B16 37.33 0.88 -9.19 0.45 0
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411554 135084386 1 NO2C9H13 AB2C9D13 -25.18 2.55 -9.73 0.51 0
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411555 135084387 1 OH4N4C8 AB4C4D8 85.46 3.42 -9.7 -1.59 1
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411556 135084388 1 ON4H5C8 AB4C5D8 78.16 7.41 0.0 0.0 0
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411557 135084389 1 ClNO2C11H20 ABC2D11E20 -135.8 4.17 -9.26 0.15 0
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411558 135084390 3 OC4H6 AB4C6 -115.58 2.42 -10.05 0.27 0
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411559 135084391 1 OH12C13 AB12C13 38.76 3.08 -9.16 -0.54 0
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411560 135084392 2 BrC5H7 AB5C7 -32.37 2.38 -10.41 -0.29 0
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411561 135084393 1 NOC14H19 ABC14D19 -40.34 4.15 -8.44 0.3 0
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411562 135084394 1 N2O2F3H5C9 A2B2C3D5E9 -136.87 6.83 -10.14 -1.54 1
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411563 135084395 1 N2O2F3H6C9 A2B2C3D6E9 -141.53 6.96 0.0 0.0 0
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411564 135084396 1 O2C15H26 A2B15C26 -103.06 1.52 -10.21 -0.11 0
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411565 135084397 1 O2C11H16 A2B11C16 -72.13 2.08 -10.19 -0.12 0
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411566 135084398 1 BrO2C12H15 AB2C12D15 -75.45 1.26 -9.36 -0.48 0
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411567 135084399 1 LiO2C9H9 AB2C9D9 -103.38 9.52 -9.41 -0.02 0
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411568 135084400 1 KNO2H6C10 ABC2D6E10 -75.52 10.82 -9.04 -0.73 0
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411569 135084401 1 BrNOCl2H8C12 ABCD2E8F12 -8.42 1.9 -9.72 -0.96 0
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411570 135084402 1 NOC15H21 ABC15D21 -37.9 1.17 -9.06 0.48 0
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411571 135084403 1 ON2C10H12 AB2C10D12 4.03 3.82 -9.07 -0.27 0
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411572 135084404 1 IC12H21 AB12C21 -18.72 2.88 -9.2 -0.42 0
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411573 135084405 1 INOC13H22 ABCD13E22 -16.18 4.31 -8.94 -0.72 0
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411574 135084406 1 NSO3C12H13 ABC3D12E13 -103.01 2.46 -8.9 -0.57 0
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411575 135084407 1 ON3C12H13 AB3C12D13 53.2 4.62 -9.32 -0.17 0
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411576 135084408 1 O3C15H22 A3B15C22 -120.08 3.72 -9.82 0.63 0
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411577 135084409 1 OC14H24 AB14C24 -49.6 2.04 -9.29 1.19 0
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411578 135084410 1 NOSC8H17 ABCD8E17 -53.73 3.12 -8.14 0.71 0