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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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400477 135048051 1 FeOSH16C17 ABCD16E17 47.06 5.07 -8.77 -0.92 0
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400478 135048052 1 FeBr2H28C34 AB2C28D34 282.02 22.37 -5.82 -1.9 0
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400479 135048054 1 FeN2O2C23H30 AB2C2D23E30 126.23 14.8 -6.55 -1.52 0
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400480 135048055 1 NOC12H16 ABC12D16 3.4 0.38 0.0 0.0 0
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400481 135048057 1 NPF6H21C23 ABC6D21E23 -236.14 4.19 0.0 0.0 0
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400482 135048058 1 FeOSSiC20H24 ABCDE20F24 202.9 22.32 -5.92 -2.85 -1
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400483 135048064 1 FeLiH3O5C6 ABC3D5E6 33.79 3.2 -7.64 -0.32 0
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400484 135048068 1 CoO7C14H15 AB7C14D15 -241.47 28.35 -10.47 -5.18 0
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400485 135048069 1 CoO5H17C19 AB5C17D19 -117.36 11.0 -11.0 -6.21 0
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400486 135048071 1 CoO6C14H15 AB6C14D15 -183.83 24.25 -10.36 -6.35 0
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400487 135048072 2 ClPtC4H7 ABC4D7 58.03 3.66 -9.24 -2.31 0
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400488 135048083 1 CoNaN2O2C16H16 ABC2D2E16F16 -159.11 21.88 -9.74 -6.0 0
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400489 135048090 1 BFeOPSH25C29 ABCDEF25G29 323.6 4.44 0.0 0.0 0
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400491 135048116 1 BC21H33 AB21C33 -25.04 0.24 -9.52 0.54 0
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400492 135048118 1 BLiC20H38 ABC20D38 -77.37 6.82 -8.45 2.22 0
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400493 135048122 1 BLiC35H62 ABC35D62 -61.76 8.67 -8.32 1.77 0
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400494 135048125 1 BBrN3C25H35 ABC3D25E35 32.6 5.6 -9.68 -0.36 0
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400495 135048126 1 BLiC19H34 ABC19D34 -62.39 7.38 -8.06 1.13 -1
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400496 135048127 1 BC19H34 AB19C34 -26.6 0.78 0.0 0.0 0
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400497 135048129 1 BC21H39 AB21C39 -89.52 0.16 -9.24 0.63 0
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400498 135048130 1 BClLiSiC16H37 ABCDE16F37 -124.11 6.99 -8.44 1.36 -1
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400499 135048131 1 BClSiC16H37 ABCD16E37 -94.15 2.52 0.0 0.0 0
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400500 135048132 1 BC21H37 AB21C37 -41.37 0.39 -9.39 0.67 0
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400501 135048133 1 BrB2C20H35 AB2C20D35 -91.3 2.43 -9.34 0.03 0
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400502 135048134 1 BClNNaSO2C28H28 ABCDEF2G28H28 -59.11 5.89 -8.14 -0.36 -1
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400503 135048135 1 BClNSO2C28H28 ABCDE2F28G28 7.89 6.58 0.0 0.0 0
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400504 135048137 1 BC16H29 AB16C29 -56.68 0.68 -8.92 0.7 0
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400507 135048146 1 BSC16H30 ABC16D30 -25.8 0.92 0.0 0.0 0
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400508 135048147 1 PO3C29H33 AB3C29D33 -104.06 6.44 -9.16 -0.29 0
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400509 135048149 1 BLiOSC17H32 ABCDE17F32 -105.17 5.29 -7.46 1.86 0
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400510 135048168 1 N2O3C14H26 A2B3C14D26 -130.1 3.07 -8.46 0.92 0
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400511 135048170 1 N2O5C30H42 A2B5C30D42 -163.64 1.61 -8.09 -0.04 0
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400512 135048171 1 SF3O5C18H23 AB3C5D18E23 -357.13 4.2 -9.52 -1.33 0
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400515 135048176 1 BC30H51 AB30C51 -46.88 0.7 -9.26 0.45 0
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400516 135048177 1 BLiNC20H33 ABCD20E33 -47.33 8.0 -8.16 1.28 0
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400517 135048180 1 BLiC15H30 ABC15D30 -55.34 7.58 -8.53 2.25 -1
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400518 135048181 1 BC15H30 AB15C30 -10.88 0.93 0.0 0.0 0
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400519 135048182 1 BSF3O5C21H32 ABC3D5E21F32 -397.46 4.09 -9.18 -1.36 0
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400520 135048183 1 NO2F3H10C15 AB2C3D10E15 -101.92 6.94 -9.92 -1.3 0
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400521 135048185 1 BO2N4C25H35 AB2C4D25E35 25.66 6.6 -10.13 -1.36 0
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400522 135048186 1 BNO2C25H38 ABC2D25E38 -62.0 7.31 -9.58 -1.11 0
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400523 135048187 1 BLiOSC14H32 ABCDE14F32 -133.64 4.4 -8.48 0.71 0
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400524 135048196 1 BBrC14H24 ABC14D24 -71.07 2.67 -9.41 -0.22 0
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400525 135048198 1 BO6C39H75 AB6C39D75 -439.74 2.63 -9.76 0.85 -1
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400527 135048254 1 SiO5C32H42 AB5C32D42 -212.48 3.61 -8.58 -0.02 0
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400528 135048255 1 BC13H25 AB13C25 -62.55 0.36 -9.49 0.82 0
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400529 135048256 1 BLiC28H28 ABC28D28 31.35 6.28 -8.26 -0.14 0
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400530 135048257 1 IO2C6H9 AB2C6D9 -76.57 2.53 -9.71 -0.98 0
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400531 135048258 1 BIOC11H22 ABCD11E22 -97.92 2.58 -9.07 -0.53 0
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400532 135048259 1 BLiC19H36 ABC19D36 -89.04 6.52 -8.43 2.65 -1