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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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50407 12012938 1 O5H6N6C9 A5B6C6D9 51.6 2.79 -10.28 -2.56 0
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50413 12012945 1 ClNPO3H15C19 ABCD3E15F19 -14.47 3.08 -10.03 -1.42 0
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50414 12012946 1 BrNPO3H15C19 ABCD3E15F19 -5.95 1.53 -9.91 -1.56 0
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50415 12012947 1 FNPO3H15C19 ABCD3E15F19 -53.59 6.18 -9.97 -1.46 0
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50416 12012948 1 NPF3O3H15C20 ABC3D3E15F20 -161.49 6.79 -10.18 -1.79 0
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50417 12012949 1 ClNPF3O3H14C20 ABCD3E3F14G20 -177.29 7.72 -10.01 -1.62 0
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50418 12012950 1 ClNPF3O3H14C20 ABCD3E3F14G20 -173.44 7.43 -10.14 -1.68 0
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50419 12012951 1 O4C27H32 A4B27C32 -40.59 4.6 -8.24 -0.96 0
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50420 12012953 1 O5C18H24 A5B18C24 -187.07 1.24 -8.32 -0.03 0
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50421 12012954 2 O3C10H13 A3B10C13 -235.21 1.2 -8.34 -0.26 0
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50422 12012955 1 O5C18H24 A5B18C24 -187.02 5.39 -8.24 -0.25 0
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50423 12012956 1 PN3O4C15H22 AB3C4D15E22 -203.14 7.25 -9.25 -0.56 0
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50424 12012957 1 PN3O4C16H24 AB3C4D16E24 -210.17 5.39 -9.07 -0.36 0
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50425 12012958 1 PN3O4C13H18 AB3C4D13E18 -189.89 1.95 -9.13 -0.42 0
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50426 12012959 1 PN3O4C14H20 AB3C4D14E20 -199.59 3.79 -9.14 -0.42 0
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50427 12012960 1 PN4O4C13H19 AB4C4D13E19 -174.72 4.54 -9.18 -0.57 0
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50428 12012961 1 PN4O4C14H21 AB4C4D14E21 -180.45 2.97 -9.15 -0.45 0
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50429 12012964 1 NO5C14H21 AB5C14D21 -231.13 2.81 -10.27 -0.17 0
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50430 12012966 1 SO2H8C12 AB2C8D12 20.39 4.82 -9.06 -1.5 0
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50431 12012967 1 SO2H10C13 AB2C10D13 11.26 5.47 -8.99 -1.47 0
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50432 12012968 1 ClSO2H9C13 ABC2D9E13 -38.27 5.0 -9.14 -1.49 0
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50433 12012969 1 ClSO2H11C14 ABC2D11E14 -47.4 6.15 -9.14 -1.54 0
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50434 12012970 1 SO3H10C13 AB3C10D13 -70.91 5.68 -9.14 -1.46 0
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50435 12012972 1 OSiC7H14 ABC7D14 -37.0 1.82 -9.76 0.64 0
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50436 12012973 1 BrN2O3H15C18 AB2C3D15E18 -54.78 5.62 -8.69 -1.14 0
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50437 12012974 1 SN2O3H14C16 AB2C3D14E16 -52.01 4.67 -8.47 -1.08 0
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50438 12012975 1 N2O4H16C19 A2B4C16D19 -75.71 4.25 -8.83 -0.95 0
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50439 12012976 1 BrN2O4H15C19 AB2C4D15E19 -71.01 4.71 -8.85 -1.21 0
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50440 12012977 1 N2O6H20C21 A2B6C20D21 -151.79 6.44 -8.61 -0.88 0
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50441 12012978 1 SN2O4H14C17 AB2C4D14E17 -70.17 4.48 -8.8 -1.2 0
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50442 12012979 1 O2C15H20 A2B15C20 -82.51 1.73 -9.46 0.26 0
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50443 12012980 2 OC5H9 AB5C9 -116.02 3.2 -9.59 0.93 0
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50444 12012981 2 OC8H11 AB8C11 -79.23 2.38 -9.51 0.21 0
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50445 12012982 2 OC8H11 AB8C11 -80.75 1.87 -9.46 0.26 0
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50446 12012984 1 O2C15H20 A2B15C20 -61.29 1.9 -9.45 0.25 0
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50447 12012985 2 OC5H9 AB5C9 -94.43 1.54 -9.91 1.97 0
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50448 12012986 2 OC8H11 AB8C11 -65.62 2.56 -9.54 0.06 0
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50449 12012987 2 OC8H11 AB8C11 -65.28 2.27 -9.57 0.05 0
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50450 12012988 2 OC6H11 AB6C11 -96.4 1.97 -9.71 2.09 0
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50451 12012989 1 NSeO2C18H25 ABC2D18E25 -77.34 4.32 -8.47 -0.25 0
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50452 12012990 1 NSeO2C23H33 ABC2D23E33 -96.37 3.44 -8.49 -0.22 0
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50453 12012991 1 NSeO2C20H27 ABC2D20E27 -79.77 5.88 -8.54 -0.28 0
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50454 12012992 1 NSeO2C18H25 ABC2D18E25 -71.69 3.99 -8.75 -0.86 0
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50455 12012993 1 NSeO2C18H25 ABC2D18E25 -64.5 5.24 -8.69 -0.78 0
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50457 12012995 1 NSeO2C18H25 ABC2D18E25 -79.14 4.0 -8.56 -0.34 0
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50458 12012996 1 NSeO2C17H23 ABC2D17E23 -33.02 3.53 -8.7 -0.27 0
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50459 12012997 1 NSeO2C21H29 ABC2D21E29 -56.9 8.08 -8.62 -0.67 0
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50460 12012998 1 NSeO2C21H29 ABC2D21E29 -57.68 6.01 -8.92 -0.97 0
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50461 12013000 1 NSeO2C21H29 ABC2D21E29 -51.81 7.26 -8.6 -0.67 0
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50463 12013002 1 NSeO2C23H33 ABC2D23E33 -90.56 1.89 -8.22 0.0 0