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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413463 135086412 1 NF3O6H14C16 AB3C6D14E16 -361.95 4.31 -9.37 -1.68 0
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413464 135086413 1 BrN2H23C24 AB2C23D24 115.33 2.52 -8.32 -0.66 0
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413465 135086414 1 BrN2C27H27 AB2C27D27 103.47 2.67 -8.29 -0.47 0
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413466 135086415 2 NC11H13 AB11C13 72.65 2.1 -7.94 -0.5 0
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413467 135086416 1 N2O4C15H18 A2B4C15D18 -121.14 1.7 -8.2 -0.44 0
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413468 135086417 1 N2O5H24C26 A2B5C24D26 -105.5 3.61 -8.16 -0.87 0
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413469 135086418 2 BrON2H9C12 ABC2D9E12 51.8 4.31 -8.33 -1.25 0
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413470 135086419 1 IN2C13H15 AB2C13D15 69.05 7.33 -8.13 -1.08 0
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413471 135086420 2 O2C7H8 A2B7C8 -104.25 5.38 -9.64 -0.65 0
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413472 135086421 1 SO2N4C18H18 AB2C4D18E18 28.46 4.13 -8.5 -0.65 0
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413473 135086422 1 SO2N4H16C18 AB2C4D16E18 59.33 3.44 -8.63 -0.81 0
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413474 135086423 1 FN2O4C14H15 AB2C4D14E15 -193.36 3.03 -8.68 -0.64 0
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413475 135086424 2 ON2C9H12 AB2C9D12 -17.04 7.65 -8.28 -0.46 1
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413476 135086425 1 N2F3H10C13 A2B3C10D13 -98.88 6.59 0.0 0.0 0
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413477 135086426 1 SO2N4H16C21 AB2C4D16E21 73.99 3.49 -8.54 -0.74 0
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413478 135086427 1 SN2O2C21H24 AB2C2D21E24 -42.99 1.91 -8.57 -1.02 0
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413479 135086428 1 NSCl3O8C33H34 ABC3D8E33F34 -267.84 5.0 -8.26 -0.61 0
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413480 135086429 1 ClOH9C10 ABC9D10 21.5 2.77 -9.01 -0.37 0
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413481 135086430 1 O3C10H14 A3B10C14 -78.85 3.56 -9.72 0.54 0
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413482 135086431 1 IO2C13H13 AB2C13D13 -27.4 2.12 -9.5 -1.38 0
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413483 135086432 1 N2C15H26 A2B15C26 -12.48 1.44 -7.89 1.5 0
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413484 135086433 2 ClOC7H8 ABC7D8 -64.55 2.01 -9.96 -0.38 0
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413485 135086434 1 NOH9C11 ABC9D11 40.03 1.41 -8.87 -0.91 0
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413486 135086435 1 OSN2C12H16 ABC2D12E16 25.27 2.95 -8.6 -0.17 0
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413487 135086436 1 OSC13H24 ABC13D24 -78.16 3.06 -8.79 0.7 0
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413488 135086437 1 BrMgO2C8H9 ABC2D8E9 -29.73 15.13 -6.77 -2.14 0
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413489 135086438 1 NOH3F4C9 ABC3D4E9 -146.9 2.66 -10.56 -1.29 0
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413490 135086439 1 O3C10H12 A3B10C12 -96.25 2.32 -8.51 -0.12 0
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413491 135086440 1 SO2N4C12H14 AB2C4D12E14 -20.51 3.26 -9.01 -1.11 0
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413492 135086441 1 BrNO2C10H10 ABC2D10E10 15.81 5.8 -9.93 -1.07 0
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413493 135086442 1 NSO3C8H13 ABC3D8E13 -61.36 2.19 -9.92 0.08 0
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413494 135086443 2 NC7H10 AB7C10 39.53 3.59 -8.15 0.27 0
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413495 135086444 2 NO2C9H12 AB2C9D12 -112.26 4.08 -9.08 -0.34 0
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413496 135086445 1 NSO2C12H13 ABC2D12E13 9.26 3.49 -8.93 -0.22 0
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413497 135086446 1 OSN2C25H26 ABC2D25E26 46.33 4.51 -8.34 0.0 0
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413498 135086447 1 SN2O5C29H30 AB2C5D29E30 -124.4 6.98 -8.39 -0.62 0
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413499 135086448 1 SiO2C12H20 AB2C12D20 -127.24 2.61 -8.49 0.36 0
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413500 135086449 1 N2O9C16H22 A2B9C16D22 -394.15 8.74 -9.78 -0.57 0
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413501 135086450 1 NO4C18H21 AB4C18D21 -153.94 5.98 -9.2 -0.91 0
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413502 135086451 1 OSiF3C12H17 ABC3D12E17 -258.44 6.03 -9.76 -0.31 0
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413503 135086452 1 SiO2C10H16 AB2C10D16 -84.84 2.06 -8.05 0.11 0
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413504 135086453 1 SiO3C14H28 AB3C14D28 -205.31 2.32 -8.8 0.61 0
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413505 135086454 1 SiO5C29H36 AB5C29D36 -174.0 3.41 -8.54 -1.0 0
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413506 135086455 2 ON2C7H7 AB2C7D7 2.54 2.86 -9.06 -0.79 0
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413507 135086456 2 ON2C7H7 AB2C7D7 -6.95 1.28 -9.02 -0.72 0
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413508 135086457 1 O3C20H22 A3B20C22 -97.47 4.23 -9.71 -0.73 0
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413509 135086458 1 NO3H15C17 AB3C15D17 -50.67 5.61 -8.72 -0.93 0
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413510 135086459 1 SO2H18C20 AB2C18D20 5.19 5.39 -8.26 -0.28 0
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413511 135086460 1 O2F5H7C9 A2B5C7D9 -297.53 2.92 -10.52 -1.39 0
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413512 135086461 1 SH24C27 AB24C27 143.59 2.53 -8.31 -0.38 0