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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225587 85856283 1 O3C20H26 A3B20C26 -135.3 6.35 -8.61 0.3 0
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225588 85856284 1 O3C21H28 A3B21C28 -130.22 6.27 -8.64 0.22 0
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225589 85856285 1 N2O4H22C31 A2B4C22D31 -59.23 2.53 -9.08 -1.67 0
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225590 85856286 1 N2O4H26C33 A2B4C26D33 -70.98 5.01 -8.98 -1.56 0
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225591 85856287 1 ON4C18H18 AB4C18D18 44.46 2.1 -8.66 -0.51 0
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225592 85856288 2 NO2H15C18 AB2C15D18 -55.88 1.23 -8.38 -1.65 0
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225593 85856289 2 NO2H15C18 AB2C15D18 -56.45 3.5 -8.36 -1.91 0
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225594 85856290 1 O4C7H12 A4B7C12 -174.83 2.34 -10.54 -0.36 0
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225595 85856291 1 BrNO2S2H6C13 ABC2D2E6F13 76.66 6.35 -9.15 -2.37 0
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225596 85856296 1 O4C21H44 A4B21C44 -260.39 1.8 -9.57 1.82 0
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225597 85856297 1 ClO3C11H17 AB3C11D17 -157.53 4.46 -10.13 0.46 0
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225598 85856298 1 ClO3C12H19 AB3C12D19 -163.83 4.19 -9.91 0.61 0
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225599 85856299 1 ClO3C13H21 AB3C13D21 -165.13 1.92 -9.89 0.68 0
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225600 85856300 1 SN2O4C9H12 AB2C4D9E12 -136.09 8.43 -10.67 -1.17 0
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225601 85856301 1 NOF2C11H13 ABC2D11E13 -104.77 3.11 -8.86 -0.96 0
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225602 85856303 1 GeIrLuH4 ABCD4 -79.01 17.17 -10.63 -5.46 0
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225603 85856304 1 N2O3C13H14 A2B3C13D14 -7.16 10.33 -8.75 -0.97 0
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225604 85856305 1 NO2C15H17 AB2C15D17 -9.81 4.57 -8.8 -1.29 0
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225605 85856307 1 Ir2Ge3Lu3H12 A2B3C3D12 -1297.79 25.79 0.0 0.0 0
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225606 85856308 1 ClNO4C21H36 ABC4D21E36 -243.16 1.98 -8.76 -0.12 0
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225607 85856309 2 ClOF2H2C3 ABC2D2E3 -244.33 1.76 -10.04 -0.78 0
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225608 85856310 1 O3C11H16 A3B11C16 -141.61 3.99 -9.69 0.82 0
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225609 85856311 1 Cl2O3F4C8H8 A2B3C4D8E8 -288.75 3.65 -9.74 -0.5 0
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225610 85856312 1 O3C13H20 A3B13C20 -148.78 2.23 -9.69 0.8 0
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225611 85856313 1 SO2N3C10H11 AB2C3D10E11 -23.95 2.62 -9.22 -1.46 0
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225612 85856317 1 SN3O3C10H11 AB3C3D10E11 -45.95 1.7 -8.96 -1.6 0
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225613 85856318 1 H4C7F8 A4B7C8 -362.36 3.64 -10.64 -0.14 0
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225614 85856319 1 PC20H39 AB20C39 -89.79 1.66 -8.25 3.33 0
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225615 85856507 1 N4O6C27H30 A4B6C27D30 -214.25 4.96 -8.58 -0.22 0
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225616 85856516 1 ON2C9H14 AB2C9D14 -15.56 4.24 -8.09 0.24 1
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225617 85856597 1 AuPH14C15 ABC14D15 166.93 14.86 -6.11 -0.86 0
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225618 85856640 1 F4H16C19 A4B16C19 -146.62 6.38 -8.84 -1.03 0
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225619 85856659 1 F3H19C22 A3B19C22 -38.65 5.8 -9.07 -1.14 0
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225620 85856702 1 F4H16C23 A4B16C23 -115.52 6.82 -9.05 -0.9 0
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225621 85856713 1 OF4H20C25 AB4C20D25 -159.57 7.72 -9.01 -0.8 0
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225622 85856731 2 SCl2N4H8C11 AB2C4D8E11 209.16 9.5 -9.14 -1.2 0
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225623 85856789 1 S2N5H11C13 A2B5C11D13 109.63 3.78 -8.71 -1.29 0
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225624 85856791 1 O6N10C39H56 A6B10C39D56 -241.23 2.7 -8.48 -0.12 0
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225625 85856793 1 PO4C15H17 AB4C15D17 -160.2 2.33 -8.75 -0.13 0
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225626 85856794 1 PO4C16H19 AB4C16D19 -166.58 0.52 -8.8 -0.12 0
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225627 87219068 1 FSN3O4C29H36 ABC3D4E29F36 -186.02 5.02 -8.69 -0.88 0
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225628 87219074 1 SN3O4C28H35 AB3C4D28E35 -132.66 7.09 -8.62 -0.5 0
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225629 87219076 1 SN2O5C21H30 AB2C5D21E30 -168.12 2.34 -8.61 -0.76 0
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225630 87219080 1 ClSN3O4C29H36 ABC3D4E29F36 -141.43 1.91 -8.76 -0.94 0
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225631 87219082 1 SO3N4C27H34 AB3C4D27E34 -80.1 5.22 -9.08 -0.91 0
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225632 87219086 1 N5O6C36H41 A5B6C36D41 -161.98 4.51 -9.54 -0.92 0
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225633 87219091 1 SCl2N3O4C27H31 AB2C3D4E27F31 -137.63 3.73 -9.1 -1.01 0
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225634 87219098 1 SN3O4C30H31 AB3C4D30E31 -75.25 1.67 -8.84 -0.98 0
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225635 87219102 1 ClSN3O4C27H32 ABC3D4E27F32 -126.47 4.58 -8.96 -1.01 0
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225636 87219104 1 BrFINOH10C12 ABCDEF10G12 -15.14 2.89 -9.83 -1.62 0