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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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18498 541751 1 N4O4H12C13 A4B4C12D13 -88.48 6.53 -9.33 -0.92 0
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18499 541795 1 NOC11H15 ABC11D15 -34.37 4.33 -9.18 0.39 0
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18500 541807 2 N2C3H8 A2B3C8 41.05 1.88 -8.84 0.46 0
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18501 541838 1 FNO3C17H20 ABC3D17E20 -119.19 4.21 -8.77 -0.29 0
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18502 541896 1 N5O7C20H39 A5B7C20D39 -316.57 1.8 -9.21 0.19 0
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18503 541940 1 OSN2C7H12 ABC2D7E12 -27.15 6.43 -9.75 -0.82 0
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18504 541954 1 NO2C12H17 AB2C12D17 -85.06 4.45 -8.87 0.31 0
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18505 541955 1 NO2C12H17 AB2C12D17 -84.7 4.58 -8.74 0.1 0
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18506 541959 1 NO3C16H19 AB3C16D19 -102.54 4.33 -8.64 0.36 0
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18507 541971 1 F3N3O3C4H4 A3B3C3D4E4 -250.13 5.4 -11.04 -1.68 0
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18508 541972 1 O3C4H4N4 A3B4C4D4 -4.27 1.36 -11.24 -1.9 0
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18509 541984 1 N2O3C11H14 A2B3C11D14 -43.67 2.49 -8.71 -0.53 0
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18510 542041 2 ON2C4H4 AB2C4D4 -15.47 0.02 -9.95 -0.67 0
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18511 542043 1 NO3C17H19 AB3C17D19 -91.19 3.41 -8.93 -0.06 0
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18512 542044 1 NO3C14H21 AB3C14D21 -139.56 5.45 -8.69 0.22 0
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18513 542055 2 HC2O2N3 AB2C2D3 89.95 6.5 -10.09 -1.93 0
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18514 542100 1 NO3C16H17 AB3C16D17 -80.67 3.09 -9.01 0.02 0
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18515 542101 1 FN3O4H14C16 AB3C4D14E16 -77.35 7.35 -9.06 -0.96 0
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18517 542195 1 O2C7H14 A2B7C14 -103.67 2.6 -10.22 0.96 0
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18518 542197 1 OC12H26 AB12C26 -95.57 1.51 -9.65 2.31 0
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18519 542202 3 OC6H12 AB6C12 -198.48 2.0 -10.1 0.76 0
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18520 542226 1 O4C15H26 A4B15C26 -181.21 4.92 -9.9 0.75 0
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18521 542233 2 BrO2C5H8 AB2C5D8 -180.16 1.97 -9.88 -1.04 0
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18522 542241 1 SC9H14 AB9C14 1.0 4.42 -8.54 -0.85 0
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18523 542283 1 SiO2C15H34 AB2C15D34 -193.79 1.11 -9.67 1.49 0
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18524 542287 2 OC3H7 AB3C7 -115.85 0.71 -10.06 2.16 0
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18525 542292 1 O3C16H32 A3B16C32 -193.12 1.94 -9.94 0.65 0
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18526 542309 1 ClOSC5H11 ABCD5E11 -62.6 1.93 -9.1 0.05 0
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18527 542312 1 BrSO2H13C15 ABC2D13E15 -36.21 4.15 -9.46 -0.62 0
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18528 542316 1 O3C5H12 A3B5C12 -132.82 1.81 -9.9 1.45 0
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18529 542321 1 NO5C10H11 AB5C10D11 -87.86 7.28 -10.09 -1.43 0
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18531 542343 1 HgNO5F6C14H14 ABC5D6E14F14 -458.4 6.92 0.0 0.0 0
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18532 542368 3 OC3H6 AB3C6 -152.92 3.12 -9.79 0.49 0
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18533 542370 1 NO3C6H13 AB3C6D13 -146.21 5.16 -10.28 0.64 0
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18534 542389 1 N3O6H13C15 A3B6C13D15 -57.23 6.66 -9.7 -2.06 0
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18535 542422 1 O4C5H10 A4B5C10 -179.79 6.01 -10.69 0.56 0
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18536 542429 2 O2C7H10 A2B7C10 -143.27 3.11 -9.57 0.04 0
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18537 542463 2 OC5H7 AB5C7 -64.47 1.5 -8.86 0.28 0
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18538 542469 1 OC10H22 AB10C22 -99.66 2.05 -10.35 2.97 0
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18539 542471 1 O7C15H26 A7B15C26 -321.92 8.03 -9.74 0.03 0
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18540 542495 1 SCl2N2O2C8H10 AB2C2D2E8F10 -71.19 4.01 -9.14 -0.62 0
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18541 542558 1 BO6C16H23 AB6C16D23 -294.51 2.95 -9.43 -0.12 0
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18542 542561 1 O3C13H20 A3B13C20 -112.51 2.27 -9.16 0.53 0
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18543 542570 1 NO4C9H13 AB4C9D13 -147.0 4.56 -9.5 -0.2 0
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18544 542598 1 OSC8H10 ABC8D10 -15.34 2.42 -8.85 -0.27 0
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18545 542621 3 OC3H4 AB3C4 -100.62 1.68 -8.85 0.31 0
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18546 542635 1 NSO5C8H9 ABC5D8E9 -105.14 3.43 -11.08 -2.09 0
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18547 542646 2 O2C9H9 A2B9C9 -110.78 2.43 -8.61 -0.43 0
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18548 542650 2 OC7H8 AB7C8 -57.02 3.26 -8.82 -0.47 0
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18549 542700 2 HC2O2N4 AB2C2D4 183.04 5.56 -10.87 -3.92 0
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18550 542705 1 BClPS2C4H10 ABCD2E4F10 -41.53 5.7 0.0 0.0 0
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18551 542707 1 O2H3N5C12F18 A2B3C5D12E18 -860.38 4.01 -11.39 -2.53 0
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18552 542721 1 ClNS2F6 ABC2D6 -272.68 3.91 -10.5 -1.9 0
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18553 542741 1 NO4C10H19 AB4C10D19 -140.94 2.11 -9.0 0.7 0
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18554 542743 1 HSi4F9 AB4C9 -865.84 1.06 -9.64 -1.29 0
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18555 542757 1 BrClO2N3H5C6 ABC2D3E5F6 -38.37 1.25 -10.09 -1.25 0
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18556 542852 2 N3O4H9C14 A3B4C9D14 -17.0 2.63 -8.85 -2.45 0
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18557 542855 1 NSeC6H7 ABC6D7 34.55 2.21 -8.69 -0.46 0
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18558 542861 1 IC3H3F4 AB3C3D4 -196.35 0.73 -10.24 -1.58 0
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18559 542868 1 CrO4C8H8 AB4C8D8 71.63 2.62 -7.14 0.32 0
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18560 542880 3 NOC3H3 ABC3D3 -8.48 4.07 -9.22 -1.3 0
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18561 542886 1 CrO5H6C13 AB5C6D13 -12.21 2.4 -7.42 -1.04 0
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18562 542898 1 Cl2S2N3O3H9C14 A2B2C3D3E9F14 -51.54 7.29 -9.55 -1.5 0
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18563 542899 1 ON3H11C13 AB3C11D13 32.3 2.06 -8.1 -0.49 0
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18564 542901 1 NOC6H7 ABC6D7 27.49 3.65 -9.62 0.06 0
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18565 542911 1 CrO4H6C11 AB4C6D11 -63.07 3.06 -8.22 -0.07 0
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18566 542932 1 CrFO3H7C10 ABC3D7E10 -25.27 3.11 -7.76 -0.11 0
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18567 542944 1 H5N5O5C6 A5B5C5D6 29.75 1.44 -11.25 -1.76 0
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18568 542948 2 C5H6 A5B6 23.69 0.24 -8.8 0.67 -6
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18569 542960 1 CrO4H12C13 AB4C12D13 -252.11 4.74 -9.51 -0.99 0
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18570 542961 1 OC10H12 AB10C12 -18.62 2.87 -9.49 0.1 -6
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18571 542962 1 CrC12H13 AB12C13 168.04 2.23 0.0 0.0 -11
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18572 543038 1 O2C7H10 A2B7C10 -49.84 2.23 -10.94 -0.05 0
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18573 543108 1 NF3C5H6 AB3C5D6 -150.71 4.72 -12.58 0.91 0
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18574 543111 1 N2O2C9H12 A2B2C9D12 -0.78 3.96 -11.31 0.12 0