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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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57278 22395580 4 ClC2H4 AB2C4 -65.54 0.05 -10.95 -1.23 0
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57279 22395581 1 ClNO2C8H16 ABC2D8E16 -87.94 2.67 -8.83 -0.34 0
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57280 22395583 1 O3H18C20 A3B18C20 -44.84 4.22 -9.45 -0.7 0
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57281 22395585 1 O5C15H16 A5B15C16 -162.2 4.33 -9.34 -0.52 -3
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57282 22395588 1 PSO6 ABC6 -186.0 1.29 0.0 0.0 2
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57283 22395589 1 ClNaRu ABC -29.88 4.64 -6.95 -3.01 0
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57284 22395590 1 SiO4C12H28 AB4C12D28 -180.6 9.15 -7.62 -1.11 0
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57285 22395591 1 SiO4C16H36 AB4C16D36 199.39 25.37 -5.76 -4.58 2
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57286 22395592 1 ClKRu ABC 27.56 5.35 -6.86 -2.95 0
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57287 22395593 1 Si2O3C6H15 A2B3C6D15 -171.64 4.2 0.0 0.0 0
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57288 22395594 1 SiS4H34C52 AB4C34D52 247.42 1.69 -8.42 -0.86 -6
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57289 22395595 1 MoP2O8 AB2C8 -229.16 8.26 -9.9 -2.43 0
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57290 22395596 1 O5C46H90 A5B46C90 -289.59 2.94 -10.04 -0.91 -2
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57291 22395598 1 NO11C35H55 AB11C35D55 -425.64 5.5 -8.57 -1.22 -1
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57292 22395601 1 O8C16H25 A8B16C25 -333.49 4.5 0.0 0.0 0
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57293 22395602 2 O4C8H13 A4B8C13 -391.96 6.37 -11.14 -0.84 0
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57294 22395603 1 NO2C16H21 AB2C16D21 -72.91 2.45 -8.96 -0.72 0
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57295 22395604 1 H4N4O10C13 A4B4C10D13 13.38 9.43 -10.84 -3.14 -1
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57296 22395605 1 O3C23H39 A3B23C39 -163.44 1.22 0.0 0.0 0
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57297 22395606 1 O3C23H40 A3B23C40 -158.45 4.72 -9.41 0.44 -1
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57298 22395607 1 C2H2F3 A2B2C3 -22.24 1.78 0.0 0.0 1
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57299 22395612 1 KSO4C6H6 ABC4D6E6 -182.61 11.79 0.0 0.0 0
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57300 22395613 2 O2C9H13 A2B9C13 -160.59 2.2 -8.46 -0.39 0
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57301 22395615 1 O3C14H18 A3B14C18 -106.66 1.38 -8.94 -0.07 0
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57302 22395618 1 SNa2O4C14H16 AB2C4D14E16 -231.2 5.27 -8.24 0.12 0
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57303 22395620 4 NH5C7 AB5C7 168.62 4.91 -8.63 -0.82 -1
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57305 22395625 1 O2C15H24 A2B15C24 -44.6 2.31 -8.67 0.02 0
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57306 22395631 1 SN2O5C16H16 AB2C5D16E16 -77.63 7.32 -9.38 -0.73 0
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57307 22395636 1 NF3O4H6C9 AB3C4D6E9 -207.44 4.59 -10.39 -1.25 0
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57308 22395637 1 IN2C16H17 AB2C16D17 78.8 3.64 -8.0 -1.22 0
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57309 22395639 2 N2C3H9 A2B3C9 -5.3 1.94 -9.11 2.6 4
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57310 22395640 1 FeC2N3H12 AB2C3D12 173.18 3.87 0.0 0.0 4
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57311 22395641 1 FeNC2H8 ABC2D8 194.63 0.11 0.0 0.0 1
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57312 22395643 1 SN2C5H11 AB2C5D11 33.19 9.42 0.0 0.0 0
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57313 22395644 1 OH3N3C4 AB3C3D4 56.88 0.84 -9.86 -0.63 -1
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57314 22395645 1 AgClI ABC 32.5 7.17 0.0 0.0 0
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57315 22395648 1 SC2F2N2 AB2C2D2 -27.35 2.65 -10.51 -1.58 0
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57316 22395650 1 BrClSC2N2 ABCD2E2 62.89 3.91 -10.39 -1.63 -1
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57317 22395651 1 O4C5H9 A4B5C9 -142.68 4.08 0.0 0.0 0
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57318 22395652 1 O4C7H14 A4B7C14 -207.91 0.59 -10.81 0.77 0
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57319 22395653 1 N3O4C12H15 A3B4C12D15 -107.39 4.58 -9.38 -0.09 0
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57320 22395654 1 PC7O10H15 AB7C10D15 -518.44 3.83 -10.9 -0.56 0
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57321 22395656 1 NO5C8H11 AB5C8D11 -225.68 5.3 -10.66 -0.78 0
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57322 22395658 1 NO4C5H9 AB4C5D9 -172.66 4.39 -10.39 -0.13 0
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57323 22395661 1 O4C9H12 A4B9C12 -148.57 4.14 -10.08 -1.18 -1
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57324 22395662 1 O4C18H31 A4B18C31 -197.36 0.85 0.0 0.0 0
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57325 22395663 2 O2C9H16 A2B9C16 -210.51 4.69 -9.56 0.07 0
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57326 22395664 1 N3O5C8H15 A3B5C8D15 -219.65 5.45 -9.76 -0.56 0
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57327 22395665 1 PC6O8H11 AB6C8D11 -386.74 2.1 -10.12 -0.89 0
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57328 22395667 1 NSO2C8H15 ABC2D8E15 -90.65 5.89 -9.32 0.1 0