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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225941 87246453 1 LiN3C18H41 AB3C18D41 -32.19 3.18 0.0 0.0 0
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225942 87246454 1 N3C12H29 A3B12C29 -42.68 1.78 -8.97 2.77 0
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225943 87246458 1 ClNO2H26C29 ABC2D26E29 7.33 7.46 -9.36 -1.18 0
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225944 87246460 1 ClNO2H26C29 ABC2D26E29 -1.38 4.52 -9.18 -1.15 0
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225945 87246461 1 O5H12C13 A5B12C13 -170.33 7.55 -9.33 -0.82 0
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225946 87246465 1 NO5C12H13 AB5C12D13 -160.43 2.37 -9.77 -0.19 0
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225947 87246468 1 ClSN3O3C19H26 ABC3D3E19F26 -94.29 4.22 -9.64 -0.98 0
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225948 87246469 1 ClS2N4O5C27H33 AB2C4D5E27F33 -172.25 6.75 -9.15 -0.91 0
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225949 87246470 1 N5C17H19 A5B17C19 105.95 8.26 -8.84 -0.96 0
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225950 87246471 2 OSi2C3H8 AB2C3D8 -136.06 0.21 -5.88 -0.41 0
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225951 87246472 1 ClN2O2C16H17 AB2C2D16E17 -58.73 2.77 -10.13 -1.08 0
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225952 87246475 1 S2N3O3C9H9 A2B3C3D9E9 -48.28 4.75 -9.05 -1.63 0
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225953 87246479 1 ClF3N3H9C11 AB3C3D9E11 -112.4 2.59 -10.02 -1.8 0
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225954 87246483 1 LiN3C12H30 AB3C12D30 -40.62 3.35 -6.94 3.28 0
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225955 87246484 2 NC6H14 AB6C14 -51.09 2.09 -8.75 3.15 0
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225956 87246485 1 LiN3C12H28 AB3C12D28 47.51 35.22 -2.58 0.11 0
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225957 87246486 1 N3C12H29 A3B12C29 -39.46 1.72 -8.94 2.88 0
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225958 87246487 1 AlLiO2C8H20 ABC2D8E20 -181.18 4.44 -9.43 2.4 0
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225959 87246488 1 NSO3C11H11 ABC3D11E11 -78.15 3.38 -8.52 -1.11 0
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225960 87246489 1 N2O2C21H26 A2B2C21D26 -7.18 3.61 -8.77 -0.29 0
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225961 87246490 1 ON2C13H20 AB2C13D20 -13.68 2.97 -8.73 1.16 1
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225962 87246491 1 N2O2C5H7 A2B2C5D7 -30.72 1.78 0.0 0.0 0
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225964 87246494 1 BrFN2H12C14 ABC2D12E14 32.38 3.58 -8.58 -0.28 0
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225965 87246496 1 NF3O4C25H30 AB3C4D25E30 -287.73 5.45 -9.5 -0.72 0
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225966 87246500 1 SN2F3O3C6H7 AB2C3D3E6F7 -241.74 9.12 -9.95 -0.91 0
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225967 87246505 1 F3O3N4C12H15 A3B3C4D12E15 -152.66 6.36 -10.24 -1.31 0
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225968 87246506 1 SN4O7C36H66 AB4C7D36E66 -363.96 10.51 -8.23 -0.49 0
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225969 87246507 1 SN4O7C36H66 AB4C7D36E66 -369.02 12.8 -9.04 -0.28 1
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225970 87246508 1 SN3O5H22C23 AB3C5D22E23 -77.88 3.64 0.0 0.0 0
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225971 87246509 2 O4C6H13 A4B6C13 1.41 2.96 -9.74 -1.36 0
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225972 87246511 1 O5C6H12 A5B6C12 -227.02 2.34 -10.26 -0.38 0
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225973 87246512 1 SiO3C5H7 AB3C5D7 -112.82 4.26 0.0 0.0 0
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225974 87246514 1 N3O3H35C41 A3B3C35D41 99.16 3.81 -8.5 -1.35 0
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225975 87246515 1 N2S2O3C12H14 A2B2C3D12E14 -73.29 5.04 -9.03 -1.32 0
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225976 87246520 1 BrNO3H8C9 ABC3D8E9 -16.91 5.38 -10.57 -1.51 0
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225977 87246524 2 NC13H18 AB13C18 19.35 3.41 -9.13 0.02 0
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225978 87246526 1 BrN2C15H15 AB2C15D15 68.14 4.35 -8.48 -0.13 0
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225979 87246527 1 BS2F6O6H12C16 AB2C6D6E12F16 -533.61 1.93 0.0 0.0 0
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225980 87246529 1 S2N3O3C10H11 A2B3C3D10E11 -52.62 4.88 -8.99 -1.61 0
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225981 87246531 4 NC2H3 AB2C3 51.37 0.89 -8.7 -0.42 0
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225982 87246532 1 BrClFN2H11C14 ABCD2E11F14 24.87 4.48 -8.56 -0.58 0
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225983 87246534 1 ISF2O2N3H18C24 ABC2D2E3F18G24 4.15 8.41 -8.99 -1.02 0
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225984 87246543 1 IBr2N2H19C20 AB2C2D19E20 91.05 2.07 -8.76 -1.71 0
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225985 87246544 1 IBr2N2C20H21 AB2C2D20E21 98.76 6.83 -8.4 -1.48 0
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225986 87246545 2 OPC17H19 ABC17D19 -67.98 7.4 -9.28 -0.19 0
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225987 87246547 1 N5C7H11 A5B7C11 71.28 1.59 -8.53 -0.94 0
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225988 87246548 2 OPC16H17 ABC16D17 -48.26 7.35 -9.5 -0.2 0
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225989 87246549 1 N2S2O3C11H12 A2B2C3D11E12 -73.92 5.33 -8.93 -1.24 0
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225990 87246551 1 BrClFNO3H8C14 ABCDE3F8G14 -35.59 6.11 -10.25 -1.61 0
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225991 87246552 1 N3C11H27 A3B11C27 -39.31 2.12 -9.0 2.89 0